(4-ethanoylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)sulfonylnipecotic acid (4-acetylphenyl) ester Formula: C20H20FNO5S MolecularWeight: 405.439903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FNO5S/c1-14(23)15-4-8-18(9-5-15)27-20(24)16-3-2-12-22(13-16)28(25,26)19-10-6-17(21)7-11-19/h4-11,16H,2-3,12-13H2,1H3/t16-/m0/s1