3-(2-methylsulfonylethanoylamino)-4-oxidanyl-benzoic acid

Systemtic Name: 3-(2-methylsulfonylethanoylamino)-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-[(2-methylsulfonylacetyl)amino]benzoic acid CAS Name: 4-hydroxy-3-[(2-methylsulfonyl-1-oxoethyl)amino]benzoic acid IUPAC Name: 4-hydroxy-3-[(2-methylsulfonylacetyl)amino]benzoic acid Traditional Name: 4-hydroxy-3-[(2-mesylacetyl)amino]benzoic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)O

Isomeric SMILES

CS(=O)(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)O

InChI

InChI=1S/C10H11NO6S/c1-18(16,17)5-9(13)11-7-4-6(10(14)15)2-3-8(7)12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)