N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C12H19N4O4S+ MolecularWeight: 315.36866

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4S/c1-13-21(19,20)10-3-4-11(12(9-10)16(17)18)15-7-5-14(2)6-8-15/h3-4,9,13H,5-8H2,1-2H3/p+1