2-(2-methylsulfanylethylcarbamoyl)-3-methylsulfonyloxy-benzoic acid

Systemtic Name: 2-(2-methylsulfanylethylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Openeye Name: 2-(2-methylsulfanylethylcarbamoyl)-3-methylsulfonyloxy-benzoic acid CAS Name: 3-methylsulfonyloxy-2-[[2-(methylthio)ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-(2-methylsulfanylethylcarbamoyl)-3-methylsulfonyloxybenzoic acid Traditional Name: 3-methylsulfonyloxy-2-[2-(methylthio)ethylcarbamoyl]benzoic acid Formula: C12H15NO6S2 MolecularWeight: 333.3806

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CSCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H15NO6S2/c1-20-7-6-13-11(14)10-8(12(15)16)4-3-5-9(10)19-21(2,17)18/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)