(2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: (2R)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: (2R)-2-[2-keto-2-(p-toluidino)ethyl]sulfonylpropionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)[C@H](C)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-8-3-5-10(6-4-8)13-11(14)7-19(17,18)9(2)12(15)16/h3-6,9H,7H2,1-2H3,(H,13,14)(H,15,16)/t9-/m1/s1