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

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(4-sulfamoylphenyl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(4-sulfamoylphenyl)carbamoyl]propyl ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C27H25N3O6S/c1-3-22(25(31)29-18-13-15-19(16-14-18)37(28,34)35)36-27(33)24-23(17-9-5-4-6-10-17)20-11-7-8-12-21(20)26(32)30(24)2/h4-16,22H,3H2,1-2H3,(H,29,31)(H2,28,34,35)