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

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazino]sulfonylbenzenesulfonamide Formula: C16H17ClN4O6S2 MolecularWeight: 460.91238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O6S2/c17-15-11-12(21(22)23)1-6-16(15)19-7-9-20(10-8-19)29(26,27)14-4-2-13(3-5-14)28(18,24)25/h1-6,11H,7-10H2,(H2,18,24,25)