[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]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:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C23H22N2O5S2/c1-25(19-8-4-3-5-9-19)32(28,29)21-13-11-17(12-14-21)23(27)30-16-22(26)24-18-7-6-10-20(15-18)31-2/h3-15H,16H2,1-2H3,(H,24,26)