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

Systemtic Name: ethyl (3S)-1-[6-fluoranyl-3-(phenylsulfonyl)quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(benzenesulfonyl)-6-fluoro-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(benzenesulfonyl)-6-fluoro-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(benzenesulfonyl)-6-fluoroquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3-besyl-6-fluoro-4-quinolyl)nipecotic acid ethyl ester Formula: C23H23FN2O4S MolecularWeight: 442.503123

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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=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN2O4S/c1-2-30-23(27)16-7-6-12-26(15-16)22-19-13-17(24)10-11-20(19)25-14-21(22)31(28,29)18-8-4-3-5-9-18/h3-5,8-11,13-14,16H,2,6-7,12,15H2,1H3/t16-/m0/s1