methyl 5-methyl-2-(3-methylsulfonylpropanoylamino)benzoate

Systemtic Name: methyl 5-methyl-2-(3-methylsulfonylpropanoylamino)benzoate Openeye Name: methyl 5-methyl-2-(3-methylsulfonylpropanoylamino)benzoate CAS Name: 5-methyl-2-[(3-methylsulfonyl-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3-methylsulfonylpropanoylamino)benzoate Traditional Name: 2-(3-mesylpropanoylamino)-5-methyl-benzoic acid methyl ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-9-4-5-11(10(8-9)13(16)19-2)14-12(15)6-7-20(3,17)18/h4-5,8H,6-7H2,1-3H3,(H,14,15)