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

Systemtic Name: [2-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[4-[(6-chloropyridazin-3-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-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(6-chloropyridazin-3-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-[(6-chloropyridazin-3-yl)sulfamoyl]anilino]-2-keto-ethyl] ester Formula: C29H22ClN5O6S MolecularWeight: 604.03288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)Cl

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)Cl

InChI

InChI=1S/C29H22ClN5O6S/c1-35-27(26(18-7-3-2-4-8-18)21-9-5-6-10-22(21)28(35)37)29(38)41-17-25(36)31-19-11-13-20(14-12-19)42(39,40)34-24-16-15-23(30)32-33-24/h2-16H,17H2,1H3,(H,31,36)(H,33,34)