4-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-methylsulfonylethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-mesylethyl)piperazino]methyl]benzonitrile Formula: C15H21N3O2S MolecularWeight: 307.41114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CS(=O)(=O)CCN1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H21N3O2S/c1-21(19,20)11-10-17-6-8-18(9-7-17)13-15-4-2-14(12-16)3-5-15/h2-5H,6-11,13H2,1H3