3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-pyridylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(2-pyridinylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-pyridylmethyl)piperazino]sulfonylbenzonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H18N4O2S/c18-13-15-4-3-6-17(12-15)24(22,23)21-10-8-20(9-11-21)14-16-5-1-2-7-19-16/h1-7,12H,8-11,14H2