3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-benzylsulfonylpiperazino)methyl]benzonitrile Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c20-14-18-7-4-8-19(13-18)15-21-9-11-22(12-10-21)25(23,24)16-17-5-2-1-3-6-17/h1-8,13H,9-12,15-16H2