N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide Formula: C17H21N4O6S2+ MolecularWeight: 441.50184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6S2/c1-19-9-11-20(12-10-19)29(26,27)16-7-5-14(6-8-16)18-28(24,25)17-4-2-3-15(13-17)21(22)23/h2-8,13,18H,9-12H2,1H3/p+1