[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CN3)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC=CN3)C

InChI

InChI=1S/C21H20N2O5S/c1-14-5-3-6-17(11-14)23-29(26,27)20-12-16(9-8-15(20)2)21(25)28-13-19(24)18-7-4-10-22-18/h3-12,22-23H,13H2,1-2H3