(5-cyano-2-fluoranyl-phenyl)methyl (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=C(C=CC(=C2)C#N)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC2=C(C=CC(=C2)C#N)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19FN2O4S/c21-18-10-9-15(13-22)12-16(18)14-27-20(24)19-8-4-5-11-23(19)28(25,26)17-6-2-1-3-7-17/h1-3,6-7,9-10,12,19H,4-5,8,11,14H2/t19-/m1/s1