[4-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] 2-azanylethanoate

Systemtic Name: [4-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] 2-azanylethanoate Openeye Name: [3-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-1,1-dimethyl-propyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-2-methylbutan-2-yl] ester IUPAC Name: [4-[2-(3-bromophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-2-methylbutan-2-yl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [3-[2-(3-bromophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-1,1-dimethyl-propyl] ester Formula: C24H26BrN3O6S MolecularWeight: 564.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)OC(=O)CN

Isomeric SMILES

CC(C)(CCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)S(=O)(=O)C)OC(=O)CN

InChI

InChI=1S/C24H26BrN3O6S/c1-24(2,34-21(29)14-26)11-12-33-22-20(16-7-9-19(10-8-16)35(3,31)32)15-27-28(23(22)30)18-6-4-5-17(25)13-18/h4-10,13,15H,11-12,14,26H2,1-3H3