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

Systemtic Name: [1-oxidanylidene-1-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(pyrimidin-2-ylsulfamoyl)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-pyrimidinylsulfamoyl)anilino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(pyrimidin-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-pyrimidylsulfamoyl)phenyl]carbamoyl]propyl ester Formula: C32H29N5O6S MolecularWeight: 611.66756

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H29N5O6S/c1-4-26(29(38)35-22-14-16-23(17-15-22)44(41,42)36-32-33-18-7-19-34-32)43-31(40)28-27(21-12-10-20(2)11-13-21)24-8-5-6-9-25(24)30(39)37(28)3/h5-19,26H,4H2,1-3H3,(H,35,38)(H,33,34,36)