sodium 2-[(4-acetamidophenyl)sulfonylamino]propanedioic acid

Systemtic Name: sodium 2-[(4-acetamidophenyl)sulfonylamino]propanedioic acid Openeye Name: sodium 2-[(4-acetamidophenyl)sulfonylamino]propanedioic acid CAS Name: sodium 2-[(4-acetamidophenyl)sulfonylamino]propanedioic acid IUPAC Name: sodium 2-[(4-acetamidophenyl)sulfonylamino]propanedioic acid Traditional Name: sodium 2-[(4-acetamidophenyl)sulfonylamino]malonic acid Formula: C11H12N2NaO7S+ MolecularWeight: 339.27695

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C(=O)O.[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C11H12N2O7S.Na/c1-6(14)12-7-2-4-8(5-3-7)21(19,20)13-9(10(15)16)11(17)18;/h2-5,9,13H,1H3,(H,12,14)(H,15,16)(H,17,18);/q;+1