3-methyl-2-(3-methylsulfonylpropanoylamino)benzoic acid

Systemtic Name: 3-methyl-2-(3-methylsulfonylpropanoylamino)benzoic acid Openeye Name: 3-methyl-2-(3-methylsulfonylpropanoylamino)benzoic acid CAS Name: 3-methyl-2-[(3-methylsulfonyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-methyl-2-(3-methylsulfonylpropanoylamino)benzoic acid Traditional Name: 2-(3-mesylpropanoylamino)-3-methyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-8-4-3-5-9(12(15)16)11(8)13-10(14)6-7-19(2,17)18/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)