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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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