3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: 3-[2-(2-methylanilino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 3-[2-(2-methylanilino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: 3-[2-(2-methylanilino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: 3-[2-keto-2-(o-toluidino)ethyl]sulfonylpropionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H15NO5S/c1-9-4-2-3-5-10(9)13-11(14)8-19(17,18)7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)