[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C25H20ClN3O6S MolecularWeight: 525.9608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H20ClN3O6S/c1-29-23(25(32)35-14-21(30)28-17-10-12-18(13-11-17)36(27,33)34)22(15-6-8-16(26)9-7-15)19-4-2-3-5-20(19)24(29)31/h2-13H,14H2,1H3,(H,28,30)(H2,27,33,34)