ethyl 1-[2-(phenylsulfonyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(phenylsulfonyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(benzenesulfonyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(benzenesulfonyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate Traditional Name: 1-(2-besylethyl)-3-[4-(trifluoromethyl)benzyl]nipecotic acid ethyl ester Formula: C24H28F3NO4S MolecularWeight: 483.54363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CCS(=O)(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CCS(=O)(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C24H28F3NO4S/c1-2-32-22(29)23(17-19-9-11-20(12-10-19)24(25,26)27)13-6-14-28(18-23)15-16-33(30,31)21-7-4-3-5-8-21/h3-5,7-12H,2,6,13-18H2,1H3