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CHEBI:116765 - N-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamide

ChEBI IDCHEBI:116765
ChEBI NameN-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamide
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DownloadsMolfile
FormulaC18H17ClN2O5S
Net Charge0
Average Mass408.863
Monoisotopic Mass408.05467
SMILESCc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc3c(c2)OCO3)cc1Cl
InChIInChI=1S/C18H17ClN2O5S/c1-11-2-3-12(6-14(11)19)20-17(22)8-27(24)9-18(23)21-13-4-5-15-16(7-13)26-10-25-15/h2-7H,8-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyONWGECLABFTDEZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamide (CHEBI:116765) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-28217LINCS