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

Systemtic Name: 3-methylsulfonyloxy-2-(propan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-(isopropylcarbamoyl)-3-methylsulfonyloxy-benzoic acid CAS Name: 3-methylsulfonyloxy-2-[oxo-(propan-2-ylamino)methyl]benzoic acid IUPAC Name: 3-methylsulfonyloxy-2-(propan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-(isopropylcarbamoyl)-3-methylsulfonyloxy-benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-7(2)13-11(14)10-8(12(15)16)5-4-6-9(10)19-20(3,17)18/h4-7H,1-3H3,(H,13,14)(H,15,16)