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

Systemtic Name: [3-(trifluoromethyl)phenyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid [3-(trifluoromethyl)phenyl] ester Formula: C22H22F3NO6S MolecularWeight: 485.47339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H22F3NO6S/c1-2-31-20(27)15-6-8-19(9-7-15)33(29,30)26-12-10-16(11-13-26)21(28)32-18-5-3-4-17(14-18)22(23,24)25/h3-9,14,16H,2,10-13H2,1H3