[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c26-22(16-30-23(27)21-13-10-17-6-2-3-7-20(17)24-21)18-8-11-19(12-9-18)31(28,29)25-14-4-1-5-15-25/h2-3,6-13H,1,4-5,14-16H2