2-(3-bromophenyl)-4-[3-methyl-2,3-bis(oxidanyl)butoxy]-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3-bromophenyl)-4-[3-methyl-2,3-bis(oxidanyl)butoxy]-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-bromophenyl)-4-(2,3-dihydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-bromophenyl)-4-(2,3-dihydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-bromophenyl)-4-(2,3-dihydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-bromophenyl)-4-(2,3-dihydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23BrN2O6S MolecularWeight: 523.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)O)O

Isomeric SMILES

CC(C)(C(COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)O)O

InChI

InChI=1S/C22H23BrN2O6S/c1-22(2,28)19(26)13-31-20-18(14-7-9-17(10-8-14)32(3,29)30)12-24-25(21(20)27)16-6-4-5-15(23)11-16/h4-12,19,26,28H,13H2,1-3H3