tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanylmethyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanylmethyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanylmethyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]methylthio]methyl]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanylmethyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[[3,5-bis(trifluoromethyl)benzyl]thio]methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C26H29F6NO2S MolecularWeight: 533.569379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CSCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CSCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C26H29F6NO2S/c1-23(2,3)35-22(34)33-11-9-24(10-12-33,19-7-5-4-6-8-19)17-36-16-18-13-20(25(27,28)29)15-21(14-18)26(30,31)32/h4-8,13-15H,9-12,16-17H2,1-3H3