N-(cyanomethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-3-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide

Systemtic Name: N-(cyanomethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-3-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide Openeye Name: N-(cyanomethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-3-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide CAS Name: N-(cyanomethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]-3-[[2-(trifluoromethyl)phenyl]methylthio]propanamide IUPAC Name: N-(cyanomethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-3-[[2-(trifluoromethyl)phenyl]methylsulfonyl]propanamide Traditional Name: N-(cyanomethyl)-2-[[2-(trifluoromethyl)benzyl]sulfonylmethyl]-3-[[2-(trifluoromethyl)benzyl]thio]propionamide Formula: C22H20F6N2O3S2 MolecularWeight: 538.526219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC(CS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)NCC#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSCC(CS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)C(=O)NCC#N)C(F)(F)F

InChI

InChI=1S/C22H20F6N2O3S2/c23-21(24,25)18-7-3-1-5-15(18)11-34-12-17(20(31)30-10-9-29)14-35(32,33)13-16-6-2-4-8-19(16)22(26,27)28/h1-8,17H,10-14H2,(H,30,31)