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

Systemtic Name: 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanenitrile Openeye Name: 3-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanenitrile Traditional Name: 3-[4-(3-pyridylsulfonyl)piperazino]propionitrile Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

C1CN(CCN1CCC#N)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C12H16N4O2S/c13-4-2-6-15-7-9-16(10-8-15)19(17,18)12-3-1-5-14-11-12/h1,3,5,11H,2,6-10H2