3-[4-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(methylamino)-2-oxo-ethyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[2-(methylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[2-(methylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-keto-2-(methylamino)ethyl]sulfonylphenyl]propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CNC(=O)CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

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