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

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfonylethanoate Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfonylacetate CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetate IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfonylacetate Traditional Name: 2-[2-keto-2-(veratrylamino)ethyl]sulfonylacetate Formula: C13H16NO7S- MolecularWeight: 330.33364

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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)/p-1