3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzonitrile Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H19N3O2S/c19-14-17-7-4-8-18(13-17)24(22,23)21-11-9-20(10-12-21)15-16-5-2-1-3-6-16/h1-8,13H,9-12,15H2