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

Systemtic Name: 3-[4-(phenylsulfonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-besylpiperazino)sulfonylbenzonitrile Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H17N3O4S2/c18-14-15-5-4-8-17(13-15)26(23,24)20-11-9-19(10-12-20)25(21,22)16-6-2-1-3-7-16/h1-8,13H,9-12H2