[1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]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)C)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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