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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-carbomethoxybenzyl) ester Formula: C22H22F3NO6S MolecularWeight: 485.47339

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H22F3NO6S/c1-31-20(27)16-8-6-15(7-9-16)14-32-21(28)17-10-12-26(13-11-17)33(29,30)19-5-3-2-4-18(19)22(23,24)25/h2-9,17H,10-14H2,1H3