Mrv0541 11071408282D          
 
 15 15  0  0  0  0            999 V2000
   14.5612  -10.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5612  -11.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625  -11.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0050  -11.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0050  -10.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625  -10.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600  -11.8387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7062  -10.1887    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4487  -10.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1500  -10.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1187   -9.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2937   -9.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8512  -10.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1500   -9.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5525  -10.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <ID>
CHEBI:81696

> <NAME>
asulam

> <DEFINITION>
A carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken.

> <STAR>
3

> <SYNONYM>
N(1)-methoxycarbonylsulfanilamide; methyl sulfanilylcarbamate; methyl N-(4-aminobenzenesulfonyl)carbamate; asulame; 4-Amino-benzolsulfonyl-methylcarbamat

> <IUPAC_NAME>
methyl [(4-aminophenyl)sulfonyl]carbamate

> <FORMULA>
C8H10N2O4S

> <MASS>
230.24100

> <MONOISOTOPIC_MASS>
230.03613

> <CHARGE>
0

> <SMILES>
COC(=O)NS(=O)(=O)c1ccc(N)cc1

> <INCHI>
InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)

> <INCHIKEY>
VGPYEHKOIGNJKV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3337-71-1

> <REAXYS_REGISTRY_NUMBER>
2697523

> <CHEMIDPLUS>
3337-71-1

> <KEGG_COMPOUND_ACCESSION>
C18350

> <NIST_CHEMISTRY_WEBBOOK>
3337-71-1

> <PESTICIDES_ACCESSION>
asulam

> <WIKIPEDIA_ACCESSION>
Asulam

> <AGRICOLA_CITATION>
IND44109762

> <PUBMED_CITATION>
1452156; 18965512; 29673416; 6711013

$$$$