3-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)sulfamoyl]benzoic acid Openeye Name: 3-[benzyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid CAS Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)sulfamoyl]benzoic acid IUPAC Name: 3-[benzyl-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid Traditional Name: 3-[benzyl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]sulfamoyl]benzoic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O)C

InChI

InChI=1S/C26H24N2O5S/c1-17-11-21-13-22(25(29)27-24(21)12-18(17)2)16-28(15-19-7-4-3-5-8-19)34(32,33)23-10-6-9-20(14-23)26(30)31/h3-14H,15-16H2,1-2H3,(H,27,29)(H,30,31)