3-[4-(phenylsulfonyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(benzenesulfonyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]propanenitrile Traditional Name: 3-(4-besylpiperazino)propionitrile Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c14-7-4-8-15-9-11-16(12-10-15)19(17,18)13-5-2-1-3-6-13/h1-3,5-6H,4,8-12H2