5-methylsulfonyl-2-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

Systemtic Name: 5-methylsulfonyl-2-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Openeye Name: 5-methylsulfonyl-2-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile CAS Name: 5-methylsulfonyl-2-(1-piperazinyl)-6-[2-(trifluoromethyl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 5-methylsulfonyl-2-piperazin-1-yl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Traditional Name: 5-mesyl-2-piperazino-6-[2-(trifluoromethyl)phenyl]nicotinonitrile Formula: C18H17F3N4O2S MolecularWeight: 410.41339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCNCC2)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCNCC2)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H17F3N4O2S/c1-28(26,27)15-10-12(11-22)17(25-8-6-23-7-9-25)24-16(15)13-4-2-3-5-14(13)18(19,20)21/h2-5,10,23H,6-9H2,1H3