[2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C31H27N5O6S MolecularWeight: 597.64098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5)C

InChI

InChI=1S/C31H27N5O6S/c1-19-17-20(2)33-31(32-19)35-43(40,41)23-15-13-22(14-16-23)34-26(37)18-42-30(39)28-27(21-9-5-4-6-10-21)24-11-7-8-12-25(24)29(38)36(28)3/h4-17H,18H2,1-3H3,(H,34,37)(H,32,33,35)