6-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]nicotinonitrile Formula: C18H14F6N4O2S MolecularWeight: 464.384779

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H14F6N4O2S/c19-17(20,21)13-7-14(18(22,23)24)9-15(8-13)31(29,30)28-5-3-27(4-6-28)16-2-1-12(10-25)11-26-16/h1-2,7-9,11H,3-6H2