methyl 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(4-methylphenyl)sulfonyloxyamino]propanoate

Systemtic Name: methyl 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(4-methylphenyl)sulfonyloxyamino]propanoate Openeye Name: methyl 3-(3,5-dibromo-4-hydroxy-phenyl)-2-(p-tolylsulfonyloxyamino)propanoate CAS Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonyloxyamino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonyloxyamino]propanoate Traditional Name: 3-(3,5-dibromo-4-hydroxy-phenyl)-2-(tosyloxyamino)propionic acid methyl ester Formula: C17H17Br2NO6S MolecularWeight: 523.19298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC(CC2=CC(=C(C(=C2)Br)O)Br)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC(CC2=CC(=C(C(=C2)Br)O)Br)C(=O)OC

InChI

InChI=1S/C17H17Br2NO6S/c1-10-3-5-12(6-4-10)27(23,24)26-20-15(17(22)25-2)9-11-7-13(18)16(21)14(19)8-11/h3-8,15,20-21H,9H2,1-2H3