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

Systemtic Name: 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(4-methylpiperazino)-3-nitro-phenyl]sulfonylamino]isophthalic acid Formula: C19H20N4O8S MolecularWeight: 464.4491

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(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

CN1CCN(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)