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

Systemtic Name: ethyl 1-(4-ethanoylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(4-acetylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-acetylphenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonyl-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C24H26F3NO5S MolecularWeight: 497.52715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26F3NO5S/c1-3-33-22(30)23(16-18-5-4-6-20(15-18)24(25,26)27)11-13-28(14-12-23)34(31,32)21-9-7-19(8-10-21)17(2)29/h4-10,15H,3,11-14,16H2,1-2H3