3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: 3-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: 3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: 3-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]sulfonylpropionic acid Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CS(=O)(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CS(=O)(=O)CCC(=O)O)OC

InChI

InChI=1S/C13H17NO7S/c1-20-10-4-3-9(7-11(10)21-2)14-12(15)8-22(18,19)6-5-13(16)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)