2-tert-butyl-4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[3-(3,4-dimethoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[3-(3,4-dimethoxyphenyl)-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

InChI

InChI=1S/C24H28N2O6S/c1-14-16(22(27)17-13-25-26(23(17)28)24(2,3)4)9-11-20(33(7,29)30)21(14)15-8-10-18(31-5)19(12-15)32-6/h8-13,25H,1-7H3