5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonylamino]isophthalate Formula: C19H19N4O8S- MolecularWeight: 463.44116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O8S/c1-21-4-6-22(7-5-21)16-3-2-15(11-17(16)23(28)29)32(30,31)20-14-9-12(18(24)25)8-13(10-14)19(26)27/h2-3,8-11,20H,4-7H2,1H3,(H,24,25)(H,26,27)/p-1