2-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]phenyl]thio]acetonitrile Formula: C20H18F3N3O3S2 MolecularWeight: 469.50043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O3S2/c21-20(22,23)15-4-3-5-16(14-15)31(28,29)26-11-9-25(10-12-26)19(27)17-6-1-2-7-18(17)30-13-8-24/h1-7,14H,9-13H2