3-[4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[1-(methylamino)-1-oxopropan-2-yl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[1-(methylamino)-1-oxopropan-2-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonylphenyl]propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C13H17NO5S/c1-9(13(17)14-2)20(18,19)11-6-3-10(4-7-11)5-8-12(15)16/h3-4,6-7,9H,5,8H2,1-2H3,(H,14,17)(H,15,16)