3-methylsulfonyloxy-2-(propylcarbamoyl)benzoic acid

Systemtic Name: 3-methylsulfonyloxy-2-(propylcarbamoyl)benzoic acid Openeye Name: 3-methylsulfonyloxy-2-(propylcarbamoyl)benzoic acid CAS Name: 3-methylsulfonyloxy-2-[oxo(propylamino)methyl]benzoic acid IUPAC Name: 3-methylsulfonyloxy-2-(propylcarbamoyl)benzoic acid Traditional Name: 3-methylsulfonyloxy-2-(propylcarbamoyl)benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-3-7-13-11(14)10-8(12(15)16)5-4-6-9(10)19-20(2,17)18/h4-6H,3,7H2,1-2H3,(H,13,14)(H,15,16)