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

Systemtic Name: 5-[(3-nitro-4-piperidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-nitro-4-(1-piperidyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[3-nitro-4-(1-piperidinyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(3-nitro-4-piperidin-1-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3-nitro-4-piperidino-phenyl)sulfonylamino]isophthalic acid Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(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

C1CCN(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/C19H19N3O8S/c23-18(24)12-8-13(19(25)26)10-14(9-12)20-31(29,30)15-4-5-16(17(11-15)22(27)28)21-6-2-1-3-7-21/h4-5,8-11,20H,1-3,6-7H2,(H,23,24)(H,25,26)