3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-pyridyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 3-[4-(2-pyridyl)piperazino]sulfonylbenzonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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