6-methyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H21F3N4O3S2 MolecularWeight: 498.54165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C(=CC(=N3)C)C(F)(F)F)C#N

InChI

InChI=1S/C21H21F3N4O3S2/c1-14-3-5-16(6-4-14)33(30,31)28-9-7-27(8-10-28)19(29)13-32-20-17(12-25)18(21(22,23)24)11-15(2)26-20/h3-6,11H,7-10,13H2,1-2H3