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

Systemtic Name: 5-[(4-morpholin-4-yl-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-morpholino-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-(4-morpholinyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-morpholin-4-yl-3-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(4-morpholino-3-nitro-phenyl)sulfonylamino]isophthalic acid Formula: C18H17N3O9S MolecularWeight: 451.40728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O9S/c22-17(23)11-7-12(18(24)25)9-13(8-11)19-31(28,29)14-1-2-15(16(10-14)21(26)27)20-3-5-30-6-4-20/h1-2,7-10,19H,3-6H2,(H,22,23)(H,24,25)