ethyl (3S)-1-[3-(4-chlorophenyl)sulfonyl-6-fluoranyl-quinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfonyl-6-fluoranyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfonyl-6-fluoro-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(4-chlorophenyl)sulfonyl-6-fluoro-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(4-chlorophenyl)sulfonyl-6-fluoroquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(4-chlorophenyl)sulfonyl-6-fluoro-4-quinolyl]nipecotic acid ethyl ester Formula: C23H22ClFN2O4S MolecularWeight: 476.948183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C23H22ClFN2O4S/c1-2-31-23(28)15-4-3-11-27(14-15)22-19-12-17(25)7-10-20(19)26-13-21(22)32(29,30)18-8-5-16(24)6-9-18/h5-10,12-13,15H,2-4,11,14H2,1H3/t15-/m0/s1