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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)F

InChI

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