5-methylsulfonyl-2-[4-(phenylsulfonyl)piperazin-1-yl]-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

Systemtic Name: 5-methylsulfonyl-2-[4-(phenylsulfonyl)piperazin-1-yl]-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Traditional Name: 2-(4-besylpiperazino)-5-mesyl-6-[2-(trifluoromethyl)phenyl]nicotinonitrile Formula: C24H21F3N4O4S2 MolecularWeight: 550.57315

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C24H21F3N4O4S2/c1-36(32,33)21-15-17(16-28)23(29-22(21)19-9-5-6-10-20(19)24(25,26)27)30-11-13-31(14-12-30)37(34,35)18-7-3-2-4-8-18/h2-10,15H,11-14H2,1H3