ethyl (3S)-1-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfonyl-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(4-chlorophenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(4-chlorophenyl)sulfonyl-4-quinolyl]nipecotic acid ethyl ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O4S/c1-2-30-23(27)16-6-5-13-26(15-16)22-19-7-3-4-8-20(19)25-14-21(22)31(28,29)18-11-9-17(24)10-12-18/h3-4,7-12,14,16H,2,5-6,13,15H2,1H3/t16-/m0/s1