4-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(2-cyano-4-nitrophenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(2-cyano-4-nitrophenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(2-cyano-4-nitro-phenyl)piperazino]sulfonylbenzenesulfonamide Formula: C17H17N5O6S2 MolecularWeight: 451.47678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O6S2/c18-12-13-11-14(22(23)24)1-6-17(13)20-7-9-21(10-8-20)30(27,28)16-4-2-15(3-5-16)29(19,25)26/h1-6,11H,7-10H2,(H2,19,25,26)