4-(3-cyano-5-methylsulfonyl-6-phenyl-pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-cyano-5-methylsulfonyl-6-phenyl-pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(3-cyano-5-methylsulfonyl-6-phenyl-2-pyridyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(3-cyano-5-methylsulfonyl-6-phenyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-cyano-5-methylsulfonyl-6-phenylpyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(3-cyano-5-mesyl-6-phenyl-2-pyridyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C25H22F3N5O3S MolecularWeight: 529.53409

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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)NC3=CC=CC(=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)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H22F3N5O3S/c1-37(35,36)21-14-18(16-29)23(31-22(21)17-6-3-2-4-7-17)32-10-12-33(13-11-32)24(34)30-20-9-5-8-19(15-20)25(26,27)28/h2-9,14-15H,10-13H2,1H3,(H,30,34)