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

Systemtic Name: [1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-methyl-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C32H29N5O6S MolecularWeight: 611.66756

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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