(2-chloranyl-4-fluoranyl-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (2-chloro-4-fluoro-benzyl) ester Formula: C19H19ClFNO4S MolecularWeight: 411.874863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

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