4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]benzonitrile Traditional Name: 4-(4-besylpiperazino)benzonitrile Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c18-14-15-6-8-16(9-7-15)19-10-12-20(13-11-19)23(21,22)17-4-2-1-3-5-17/h1-9H,10-13H2