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

Systemtic Name: 5-methylsulfonyl-6-phenyl-2-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 5-methylsulfonyl-6-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 5-methylsulfonyl-2-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 5-methylsulfonyl-6-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 5-mesyl-6-phenyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazino]nicotinonitrile Formula: C25H21F3N4O3S MolecularWeight: 514.51945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21F3N4O3S/c1-36(34,35)21-15-19(16-29)23(30-22(21)17-5-3-2-4-6-17)31-11-13-32(14-12-31)24(33)18-7-9-20(10-8-18)25(26,27)28/h2-10,15H,11-14H2,1H3