phenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-methylsulfanyl-2-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-6-methylsulfanyl-2-oxidanyl-benzenesulfonate Openeye Name: phenyl 3-(1-formamido-3-oxo-propyl)-2-hydroxy-6-methylsulfanyl-benzenesulfonate CAS Name: 3-(1-formamido-3-oxopropyl)-2-hydroxy-6-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(1-formamido-3-oxopropyl)-2-hydroxy-6-methylsulfanylbenzenesulfonate Traditional Name: 3-(1-formamido-3-keto-propyl)-2-hydroxy-6-(methylthio)benzenesulfonic acid phenyl ester Formula: C17H17NO6S2 MolecularWeight: 395.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C=C1)C(CC=O)NC=O)O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CSC1=C(C(=C(C=C1)C(CC=O)NC=O)O)S(=O)(=O)OC2=CC=CC=C2

InChI

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