[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(3-piperidinosulfonylanilino)ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23N3O5S/c27-22(16-31-23(28)21-12-11-17-7-2-3-10-20(17)25-21)24-18-8-6-9-19(15-18)32(29,30)26-13-4-1-5-14-26/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,24,27)