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

Systemtic Name: [2-oxidanylidene-2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-[4-(2-pyrimidinylsulfamoyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-2-[4-(2-pyrimidylsulfamoyl)anilino]ethyl] ester Formula: C30H25N5O6S MolecularWeight: 583.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5

InChI

InChI=1S/C30H25N5O6S/c1-19-8-10-20(11-9-19)26-23-6-3-4-7-24(23)28(37)35(2)27(26)29(38)41-18-25(36)33-21-12-14-22(15-13-21)42(39,40)34-30-31-16-5-17-32-30/h3-17H,18H2,1-2H3,(H,33,36)(H,31,32,34)