methyl 2-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoate

Systemtic Name: methyl 2-[2-[(5-azanyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylethanoate Openeye Name: methyl 2-[2-(5-amino-2-methoxy-anilino)-2-oxo-ethyl]sulfonylacetate CAS Name: 2-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]sulfonylacetate Traditional Name: 2-[2-(5-amino-2-methoxy-anilino)-2-keto-ethyl]sulfonylacetic acid methyl ester Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)CS(=O)(=O)CC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)CS(=O)(=O)CC(=O)OC

InChI

InChI=1S/C12H16N2O6S/c1-19-10-4-3-8(13)5-9(10)14-11(15)6-21(17,18)7-12(16)20-2/h3-5H,6-7,13H2,1-2H3,(H,14,15)