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

Systemtic Name: 3-ethoxy-4-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-ethoxy-4-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-ethoxy-4-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethoxy]benzonitrile Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c1-3-32-21-12-16(14-23)4-7-20(21)33-15-22(27)25-10-8-24(9-11-25)18-6-5-17(34(2,30)31)13-19(18)26(28)29/h4-7,12-13H,3,8-11,15H2,1-2H3