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

Systemtic Name: 5-[[4-(3-morpholin-4-ylpropylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(3-morpholinopropylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-[3-(4-morpholinyl)propylamino]-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(3-morpholin-4-ylpropylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(3-morpholinopropylamino)-3-nitro-phenyl]sulfonylamino]isophthalic acid Formula: C21H24N4O9S MolecularWeight: 508.50166

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O9S/c26-20(27)14-10-15(21(28)29)12-16(11-14)23-35(32,33)17-2-3-18(19(13-17)25(30)31)22-4-1-5-24-6-8-34-9-7-24/h2-3,10-13,22-23H,1,4-9H2,(H,26,27)(H,28,29)