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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO5S MolecularWeight: 457.46329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3NO5S/c1-29-18-5-7-19(8-6-18)31(27,28)25-11-9-16(10-12-25)20(26)30-14-15-3-2-4-17(13-15)21(22,23)24/h2-8,13,16H,9-12,14H2,1H3