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

Systemtic Name: [4-[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxidanylidene-pyridazin-4-yl]oxy-2-methyl-butan-2-yl] 2-azanylethanoate Openeye Name: [3-[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-pyridazin-4-yl]oxy-1,1-dimethyl-propyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxo-4-pyridazinyl]oxy]-2-methylbutan-2-yl] ester IUPAC Name: [4-[2-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-3-oxopyridazin-4-yl]oxy-2-methylbutan-2-yl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [3-[2-(3,4-dichlorophenyl)-3-keto-5-(4-mesylphenyl)pyridazin-4-yl]oxy-1,1-dimethyl-propyl] ester Formula: C24H25Cl2N3O6S MolecularWeight: 554.4428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25Cl2N3O6S/c1-24(2,35-21(30)13-27)10-11-34-22-18(15-4-7-17(8-5-15)36(3,32)33)14-28-29(23(22)31)16-6-9-19(25)20(26)12-16/h4-9,12,14H,10-11,13,27H2,1-3H3