2-[(3-methylphenyl)sulfonylamino]pentanedioic acid

Systemtic Name: 2-[(3-methylphenyl)sulfonylamino]pentanedioic acid Openeye Name: 2-(m-tolylsulfonylamino)pentanedioic acid CAS Name: 2-[(3-methylphenyl)sulfonylamino]pentanedioic acid IUPAC Name: 2-[(3-methylphenyl)sulfonylamino]pentanedioic acid Traditional Name: 2-(m-tolylsulfonylamino)glutaric acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H15NO6S/c1-8-3-2-4-9(7-8)20(18,19)13-10(12(16)17)5-6-11(14)15/h2-4,7,10,13H,5-6H2,1H3,(H,14,15)(H,16,17)