[1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-butan-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-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-[(4,6-dimethylpyrimidin-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-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[4-[(4,6-dimethylpyrimidin-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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]propyl ester Formula: C33H31N5O6S MolecularWeight: 625.69414

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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)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)C)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C33H31N5O6S/c1-5-27(30(39)36-23-15-17-24(18-16-23)45(42,43)37-33-34-20(2)19-21(3)35-33)44-32(41)29-28(22-11-7-6-8-12-22)25-13-9-10-14-26(25)31(40)38(29)4/h6-19,27H,5H2,1-4H3,(H,36,39)(H,34,35,37)