3-[(3,4-dimethoxyphenyl)sulfonyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-[2-(hydroxyamino)-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-[2-(hydroxyamino)-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonyl-[2-(hydroxyamino)-2-keto-ethyl]amino]propionic acid Formula: C13H18N2O8S MolecularWeight: 362.35562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC(=O)NO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)O)CC(=O)NO)OC

InChI

InChI=1S/C13H18N2O8S/c1-22-10-4-3-9(7-11(10)23-2)24(20,21)15(6-5-13(17)18)8-12(16)14-19/h3-4,7,19H,5-6,8H2,1-2H3,(H,14,16)(H,17,18)