4-azanyl-5-cyano-6-[(4-methylphenyl)sulfonylamino]pyridine-2,3-dicarboxylic acid

Systemtic Name: 4-azanyl-5-cyano-6-[(4-methylphenyl)sulfonylamino]pyridine-2,3-dicarboxylic acid Openeye Name: 4-amino-5-cyano-6-(p-tolylsulfonylamino)pyridine-2,3-dicarboxylic acid CAS Name: 4-amino-5-cyano-6-[(4-methylphenyl)sulfonylamino]pyridine-2,3-dicarboxylic acid IUPAC Name: 4-amino-5-cyano-6-[(4-methylphenyl)sulfonylamino]pyridine-2,3-dicarboxylic acid Traditional Name: 4-amino-5-cyano-6-(tosylamino)quinolinic acid Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(C(=C2C#N)N)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(C(=C2C#N)N)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12N4O6S/c1-7-2-4-8(5-3-7)26(24,25)19-13-9(6-16)11(17)10(14(20)21)12(18-13)15(22)23/h2-5H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)