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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-(4-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-carbethoxyphenyl)sulfonylisonipecotic acid [3-(trifluoromethyl)benzyl] ester Formula: C23H24F3NO6S MolecularWeight: 499.49997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3NO6S/c1-2-32-21(28)17-6-8-20(9-7-17)34(30,31)27-12-10-18(11-13-27)22(29)33-15-16-4-3-5-19(14-16)23(24,25)26/h3-9,14,18H,2,10-13,15H2,1H3