3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)propanenitrile CAS Name: 3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)propanenitrile Traditional Name: 3-(4-benzylsulfonylpiperazino)propionitrile Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC#N)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2S/c15-7-4-8-16-9-11-17(12-10-16)20(18,19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,8-13H2