4-[[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-keto-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethyl]sulfonylmethyl]benzonitrile Formula: C20H20N4O7S2 MolecularWeight: 492.5254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S2/c21-13-16-5-7-17(8-6-16)14-32(28,29)15-20(25)22-9-11-23(12-10-22)33(30,31)19-4-2-1-3-18(19)24(26)27/h1-8H,9-12,14-15H2