[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5S2/c1-31-20-11-6-10-19(14-20)25-22(26)16-30-23(27)18-9-5-12-21(13-18)32(28,29)24-15-17-7-3-2-4-8-17/h2-14,24H,15-16H2,1H3,(H,25,26)