(3-chlorophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (3-chlorobenzyl) ester Formula: C20H19ClF3NO4S MolecularWeight: 461.88237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H19ClF3NO4S/c21-16-5-3-4-14(12-16)13-29-19(26)15-8-10-25(11-9-15)30(27,28)18-7-2-1-6-17(18)20(22,23)24/h1-7,12,15H,8-11,13H2