(2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-1-(phenylsulfonyl)piperidine-3-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (3S)-1-(phenylsulfonyl)piperidine-3-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (3S)-1-(benzenesulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-(benzenesulfonyl)-3-piperidinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (3S)-1-(benzenesulfonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-besylnipecotic acid (2-chloro-6-fluoro-benzyl) ester Formula: C19H19ClFNO4S MolecularWeight: 411.874863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H19ClFNO4S/c20-17-9-4-10-18(21)16(17)13-26-19(23)14-6-5-11-22(12-14)27(24,25)15-7-2-1-3-8-15/h1-4,7-10,14H,5-6,11-13H2/t14-/m0/s1