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

Systemtic Name: 4-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethoxy]benzonitrile Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S/c1-31(28,29)17-6-7-18(19(12-17)24(26)27)22-8-10-23(11-9-22)20(25)14-30-16-4-2-15(13-21)3-5-16/h2-7,12H,8-11,14H2,1H3