2-(butan-2-ylcarbamoyl)-3-methylsulfonyloxy-benzoic acid

Systemtic Name: 2-(butan-2-ylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Openeye Name: 3-methylsulfonyloxy-2-(sec-butylcarbamoyl)benzoic acid CAS Name: 2-[(butan-2-ylamino)-oxomethyl]-3-methylsulfonyloxybenzoic acid IUPAC Name: 2-(butan-2-ylcarbamoyl)-3-methylsulfonyloxybenzoic acid Traditional Name: 3-methylsulfonyloxy-2-(sec-butylcarbamoyl)benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-4-8(2)14-12(15)11-9(13(16)17)6-5-7-10(11)20-21(3,18)19/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17)