4-[[1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]sulfamoyl]benzoic acid CAS Name: 4-[[1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]sulfamoyl]benzoic acid Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H20N2O5S/c1-12-3-6-16(9-13(12)2)21-11-15(10-18(21)22)20-27(25,26)17-7-4-14(5-8-17)19(23)24/h3-9,15,20H,10-11H2,1-2H3,(H,23,24)