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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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