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

Systemtic Name: 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-5-methylsulfonyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-furoyl)piperazino]-5-mesyl-6-[2-(trifluoromethyl)phenyl]nicotinonitrile Formula: C23H19F3N4O4S MolecularWeight: 504.48157

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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=CO3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H19F3N4O4S/c1-35(32,33)19-13-15(14-27)21(28-20(19)16-5-2-3-6-17(16)23(24,25)26)29-8-10-30(11-9-29)22(31)18-7-4-12-34-18/h2-7,12-13H,8-11H2,1H3