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

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylisonipecotic acid [4-(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=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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