phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-3-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methylsulfanyl-3-oxidanyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-3-hydroxy-2-methylsulfanyl-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-3-hydroxy-2-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-3-hydroxy-2-methylsulfanylbenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-3-hydroxy-2-(methylthio)benzenesulfonic acid phenyl ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1O)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC(=C1O)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C17H17NO6S2/c1-25-17-15(26(22,23)24-12-5-3-2-4-6-12)8-7-13(16(17)21)14(9-10-19)18-11-20/h2-8,10-11,14,21H,9H2,1H3,(H,18,20)