2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(3-phenylpropylsulfonyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(3-phenylpropylsulfonyl)piperazino]acetonitrile Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)S(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CC#N)S(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C15H21N3O2S/c16-8-9-17-10-12-18(13-11-17)21(19,20)14-4-7-15-5-2-1-3-6-15/h1-3,5-6H,4,7,9-14H2