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

Systemtic Name: 2-(2-methylpropylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Openeye Name: 2-(isobutylcarbamoyl)-3-methylsulfonyloxy-benzoic acid CAS Name: 2-[(2-methylpropylamino)-oxomethyl]-3-methylsulfonyloxybenzoic acid IUPAC Name: 2-(2-methylpropylcarbamoyl)-3-methylsulfonyloxybenzoic acid Traditional Name: 2-(isobutylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-8(2)7-14-12(15)11-9(13(16)17)5-4-6-10(11)20-21(3,18)19/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17)