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

Systemtic Name: 4-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(4-cyano-2-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(4-cyano-2-nitrophenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(4-cyano-2-nitrophenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(4-cyano-2-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)C#N)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

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