(2-chloranyl-4-fluoranyl-phenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (2-chloro-4-fluoro-benzyl) ester Formula: C20H21ClFNO4S MolecularWeight: 425.901443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H21ClFNO4S/c1-14-2-6-18(7-3-14)28(25,26)23-10-8-15(9-11-23)20(24)27-13-16-4-5-17(22)12-19(16)21/h2-7,12,15H,8-11,13H2,1H3