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

Systemtic Name: 3-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(dimethylamino)-2-oxo-ethyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[2-(dimethylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[2-(dimethylamino)-2-oxoethyl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-(dimethylamino)-2-keto-ethyl]sulfonylphenyl]propionic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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