1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C17H26N5O7S2+ MolecularWeight: 476.54764

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O7S2/c1-30(26,27)20-11-7-19(8-12-20)17(23)14-18-5-9-21(10-6-18)31(28,29)16-4-2-3-15(13-16)22(24)25/h2-4,13H,5-12,14H2,1H3/p+1