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

Systemtic Name: [1-oxidanylidene-1-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(2-pyridylsulfamoyl)phenyl]carbamoyl]propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-[4-(2-pyridinylsulfamoyl)anilino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(pyridin-2-ylsulfamoyl)anilino]butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-[[4-(2-pyridylsulfamoyl)phenyl]carbamoyl]propyl ester Formula: C33H30N4O6S MolecularWeight: 610.6795

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H30N4O6S/c1-4-27(31(38)35-23-16-18-24(19-17-23)44(41,42)36-28-11-7-8-20-34-28)43-33(40)30-29(22-14-12-21(2)13-15-22)25-9-5-6-10-26(25)32(39)37(30)3/h5-20,27H,4H2,1-3H3,(H,34,36)(H,35,38)