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CHEBI:143524 - (S)-pyrimisulfan

ChEBI IDCHEBI:143524
ChEBI Name(S)-pyrimisulfan
Stars
ASCII Name(S)-pyrimisulfan
DefinitionA N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide that has S configuration.
Last Modified5 April 2019
SubmitterAdnan
DownloadsMolfile
FormulaC16H19F2N3O6S
Net Charge0
Average Mass419.406
Monoisotopic Mass419.09626
SMILESCOCc1cccc([C@H](O)c2nc(OC)cc(OC)n2)c1NS(=O)(=O)C(F)F
InChIInChI=1S/C16H19F2N3O6S/c1-25-8-9-5-4-6-10(13(9)21-28(23,24)16(17)18)14(22)15-19-11(26-2)7-12(20-15)27-3/h4-7,14,16,21-22H,8H2,1-3H3/t14-/m0/s1
InChIKeyNTBVTCXMRYKRTB-AWEZNQCLSA-N
Roles Classification
Application:
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
(S)-pyrimisulfan (CHEBI:143524) is a N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522)
(S)-pyrimisulfan (CHEBI:143524) is enantiomer of (R)-pyrimisulfan (CHEBI:143523)
Incoming Relation(s)
pyrimisulfan (CHEBI:143521) has part (S)-pyrimisulfan (CHEBI:143524)
(R)-pyrimisulfan (CHEBI:143523) is enantiomer of (S)-pyrimisulfan (CHEBI:143524)
IUPAC Name 
N-{2-[(S)-(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide