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

Systemtic Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoranyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoroquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-quinolyl]nipecotic acid ethyl ester Formula: C25H27FN2O4S MolecularWeight: 470.556283

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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)C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O4S/c1-4-32-25(29)18-6-5-11-28(15-18)24-21-13-19(26)8-10-22(21)27-14-23(24)33(30,31)20-9-7-16(2)17(3)12-20/h7-10,12-14,18H,4-6,11,15H2,1-3H3/t18-/m0/s1