5-nitro-2-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[4-(phenylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-(4-besylpiperazino)-5-nitro-benzonitrile Formula: C17H16N4O4S MolecularWeight: 372.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S/c18-13-14-12-15(21(22)23)6-7-17(14)19-8-10-20(11-9-19)26(24,25)16-4-2-1-3-5-16/h1-7,12H,8-11H2