3-(2-carboxyethylsulfonylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2-carboxyethylsulfonylamino)-4-methyl-benzoic acid Openeye Name: 3-(2-carboxyethylsulfonylamino)-4-methyl-benzoic acid CAS Name: 3-(2-carboxyethylsulfonylamino)-4-methylbenzoic acid IUPAC Name: 3-(2-carboxyethylsulfonylamino)-4-methylbenzoic acid Traditional Name: 3-(2-carboxyethylsulfonylamino)-4-methyl-benzoic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H13NO6S/c1-7-2-3-8(11(15)16)6-9(7)12-19(17,18)5-4-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)(H,15,16)