3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: 3-[2-(4-methylanilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(4-methylanilino)-2-oxoethyl]sulfonylpropanoate IUPAC Name: 3-[2-(4-methylanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-keto-2-(p-toluidino)ethyl]sulfonylpropionate Formula: C12H14NO5S- MolecularWeight: 284.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CCC(=O)[O-]

InChI

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