[2-oxidanylidene-2-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[4-(2-pyridylsulfamoyl)anilino]ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-[4-(2-pyridinylsulfamoyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-2-[4-(2-pyridylsulfamoyl)anilino]ethyl] ester Formula: C31H26N4O6S MolecularWeight: 582.62634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=CC=N5

InChI

InChI=1S/C31H26N4O6S/c1-20-10-12-21(13-11-20)28-24-7-3-4-8-25(24)30(37)35(2)29(28)31(38)41-19-27(36)33-22-14-16-23(17-15-22)42(39,40)34-26-9-5-6-18-32-26/h3-18H,19H2,1-2H3,(H,32,34)(H,33,36)