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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5S2/c1-24(19-8-4-3-5-9-19)31(27,28)21-10-6-7-18(15-21)23(26)29-16-22(25)17-11-13-20(30-2)14-12-17/h3-15H,16H2,1-2H3