[2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methoxyquinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methoxyquinoline-2-carboxylate Openeye Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methoxyquinoline-2-carboxylate CAS Name: 6-methoxy-2-quinolinecarboxylic acid [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methoxyquinoline-2-carboxylate Traditional Name: 6-methoxyquinaldic acid [2-keto-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=NC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=NC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C21H21N3O6S/c1-13(14-3-7-17(8-4-14)31(22,27)28)23-20(25)12-30-21(26)19-9-5-15-11-16(29-2)6-10-18(15)24-19/h3-11,13H,12H2,1-2H3,(H,23,25)(H2,22,27,28)