6-[4-[2,3,4-tris(fluoranyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[2,3,4-tris(fluoranyl)phenyl]sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-(2,3,4-trifluorophenyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(2,3,4-trifluorophenyl)sulfonylpiperazino]nicotinonitrile Formula: C16H13F3N4O2S MolecularWeight: 382.36023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N4O2S/c17-12-2-3-13(16(19)15(12)18)26(24,25)23-7-5-22(6-8-23)14-4-1-11(9-20)10-21-14/h1-4,10H,5-8H2