N-(cyclohexylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide CAS Name: N-(cyclohexylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]-3-pyridinecarboxamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(cyclohexylmethyl)-2-[2-[3-(trifluoromethyl)phenyl]sulfonylethylthio]nicotinamide Formula: C22H25F3N2O3S2 MolecularWeight: 486.57071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O3S2/c23-22(24,25)17-8-4-9-18(14-17)32(29,30)13-12-31-21-19(10-5-11-26-21)20(28)27-15-16-6-2-1-3-7-16/h4-5,8-11,14,16H,1-3,6-7,12-13,15H2,(H,27,28)