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

Systemtic Name: 4-methyl-3-(3-methylsulfonylpropanoylamino)benzoic acid Openeye Name: 4-methyl-3-(3-methylsulfonylpropanoylamino)benzoic acid CAS Name: 4-methyl-3-[(3-methylsulfonyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 4-methyl-3-(3-methylsulfonylpropanoylamino)benzoic acid Traditional Name: 3-(3-mesylpropanoylamino)-4-methyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCS(=O)(=O)C

InChI

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