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

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-[(4-sulfamoylphenyl)carbamoyl]propyl ester Formula: C27H24ClN3O6S MolecularWeight: 554.01396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClN3O6S/c1-3-22(25(32)30-18-12-14-19(15-13-18)38(29,35)36)37-27(34)24-23(16-8-10-17(28)11-9-16)20-6-4-5-7-21(20)26(33)31(24)2/h4-15,22H,3H2,1-2H3,(H,30,32)(H2,29,35,36)