2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazino]sulfonylbenzonitrile Formula: C16H14F3N5O2S MolecularWeight: 397.37487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H14F3N5O2S/c17-16(18,19)14-5-6-21-15(22-14)23-7-9-24(10-8-23)27(25,26)13-4-2-1-3-12(13)11-20/h1-6H,7-10H2