[2-oxidanylidene-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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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=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H19N3O5S/c1-13(14-6-9-16(10-7-14)29(21,26)27)22-19(24)12-28-20(25)18-11-8-15-4-2-3-5-17(15)23-18/h2-11,13H,12H2,1H3,(H,22,24)(H2,21,26,27)/t13-/m1/s1