2-(1-methylsulfanylpropan-2-ylcarbamoyl)-3-methylsulfonyloxy-benzoic acid

Systemtic Name: 2-(1-methylsulfanylpropan-2-ylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Openeye Name: 2-[(1-methyl-2-methylsulfanyl-ethyl)carbamoyl]-3-methylsulfonyloxy-benzoic acid CAS Name: 3-methylsulfonyloxy-2-[[1-(methylthio)propan-2-ylamino]-oxomethyl]benzoic acid IUPAC Name: 2-(1-methylsulfanylpropan-2-ylcarbamoyl)-3-methylsulfonyloxybenzoic acid Traditional Name: 2-[[1-methyl-2-(methylthio)ethyl]carbamoyl]-3-methylsulfonyloxy-benzoic acid Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(CSC)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO6S2/c1-8(7-21-2)14-12(15)11-9(13(16)17)5-4-6-10(11)20-22(3,18)19/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17)