2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]pentanedinitrile Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]pentanedinitrile CAS Name: 2-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]pentanedinitrile IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-yl)methyl]pentanedinitrile Traditional Name: 2-[(4-benzylsulfonylpiperazino)methyl]glutaronitrile Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CCC#N)C#N)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC(CCC#N)C#N)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O2S/c18-8-4-7-17(13-19)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7,9-12,14-15H2