2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfonylethanoic acid

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfonylethanoic acid Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfonylacetic acid CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetic acid IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetic acid Traditional Name: 2-[2-keto-2-(veratrylamino)ethyl]sulfonylacetic acid Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CS(=O)(=O)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CS(=O)(=O)CC(=O)O)OC

InChI

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