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

Systemtic Name: [2-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[4-[(4-methylpyrimidin-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-methyl-2-pyrimidinyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methylpyrimidin-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-keto-2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]ethyl] ester Formula: C30H25N5O6S MolecularWeight: 583.6144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

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