N-[(1R,2R)-2-phenylsulfanylcyclohexyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[(1R,2R)-2-phenylsulfanylcyclohexyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[(1R,2R)-2-phenylsulfanylcyclohexyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[(1R,2R)-2-(phenylthio)cyclohexyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[(1R,2R)-2-phenylsulfanylcyclohexyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[(1R,2R)-2-(phenylthio)cyclohexyl]-3,5-bis(trifluoromethyl)benzamide Formula: C21H19F6NOS MolecularWeight: 447.437079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC3=CC=CC=C3

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC3=CC=CC=C3

InChI

InChI=1S/C21H19F6NOS/c22-20(23,24)14-10-13(11-15(12-14)21(25,26)27)19(29)28-17-8-4-5-9-18(17)30-16-6-2-1-3-7-16/h1-3,6-7,10-12,17-18H,4-5,8-9H2,(H,28,29)/t17-,18-/m1/s1