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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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