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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C(F)(F)F

InChI

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