ethyl 1-(4-methoxyphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methoxyphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(4-methoxyphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methoxyphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C23H26F3NO5S MolecularWeight: 485.51645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H26F3NO5S/c1-3-32-21(28)22(16-17-5-4-6-18(15-17)23(24,25)26)11-13-27(14-12-22)33(29,30)20-9-7-19(31-2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3