2-nitro-N-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 2-nitro-N-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 2-nitro-N-[2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 2-nitro-N-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide Formula: C18H22N5O8S2+ MolecularWeight: 500.52598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O8S2/c24-22(25)15-5-1-3-7-17(15)32(28,29)19-9-10-20-11-13-21(14-12-20)33(30,31)18-8-4-2-6-16(18)23(26)27/h1-8,19H,9-14H2/p+1