2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 2-[4-(3-pyridylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)benzonitrile Traditional Name: 2-[4-(3-pyridylsulfonyl)piperazino]benzonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H16N4O2S/c17-12-14-4-1-2-6-16(14)19-8-10-20(11-9-19)23(21,22)15-5-3-7-18-13-15/h1-7,13H,8-11H2