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

Systemtic Name: 3-[4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonylphenyl]propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-10(14(18)15(2)3)21(19,20)12-7-4-11(5-8-12)6-9-13(16)17/h4-5,7-8,10H,6,9H2,1-3H3,(H,16,17)