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

Systemtic Name: 5-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(4-methyl-1-piperidyl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(4-methylpiperidino)-3-nitro-phenyl]sulfonylamino]isophthalic acid Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(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

CC1CCN(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/C20H21N3O8S/c1-12-4-6-22(7-5-12)17-3-2-16(11-18(17)23(28)29)32(30,31)21-15-9-13(19(24)25)8-14(10-15)20(26)27/h2-3,8-12,21H,4-7H2,1H3,(H,24,25)(H,26,27)