Ketcher 08111710082D 1   1.00000     0.00000     0

 28 29  0     0  0            999 V2000
    6.7553  -26.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553  -27.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8940  -28.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0327  -27.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8940  -26.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165  -28.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777  -27.5586    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6165  -29.0503    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715  -26.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715  -25.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103  -24.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103  -23.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0327  -23.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0327  -24.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8940  -23.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715  -22.0890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0327  -21.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103  -21.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8940  -22.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715  -28.0558    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7576  -23.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830  -28.5522    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6189  -23.0826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816  -23.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161  -22.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1714  -22.1219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 11 16  1  0     0  0
 15 17  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 17 21  2  0     0  0
  4 22  1  0     0  0
 17 23  1  0     0  0
  7 24  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
 25 28  2  0     0  0
M  CHG  2  18   1  19  -1
M  END
> <ID>
CHEBI:81925

> <NAME>
fomesafen

> <DEFINITION>
An N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya.

> <STAR>
3

> <SYNONYM>
fomesafene; 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitrobenzamide; 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methanesulfonyl)-2-nitrobenzamide; 5-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-mesyl-2-nitrobenzamide

> <IUPAC_NAME>
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide

> <FORMULA>
C15H10ClF3N2O6S

> <MASS>
438.765

> <MONOISOTOPIC_MASS>
437.99002

> <CHARGE>
0

> <SMILES>
C1=C(C=C(C(=C1)OC2=CC=C(C(=C2)C(=O)NS(C)(=O)=O)[N+]([O-])=O)Cl)C(F)(F)F

> <INCHI>
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)

> <INCHIKEY>
BGZZWXTVIYUUEY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
72178-02-0

> <REAXYS_REGISTRY_NUMBER>
8165046

> <CHEMIDPLUS>
72178-02-0

> <KEGG_COMPOUND_ACCESSION>
C18736

> <PESTICIDES_ACCESSION>
fomesafen

> <AGRICOLA_CITATION>
IND43973748; IND601309730; IND601311760; IND601311775; IND604817646

> <PUBMED_CITATION>
19846192; 21692513; 22585392; 22757645; 24362514; 24731936; 25703508; 26817647; 27268304; 28370968; 28571854

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