4-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-[4-(4-mesyl-2-nitro-phenyl)piperazino]propyl]benzonitrile Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-31(29,30)18-7-8-19(20(14-18)25(27)28)23-10-12-24(13-11-23)21(26)9-6-16-2-4-17(15-22)5-3-16/h2-5,7-8,14H,6,9-13H2,1H3