4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-3-(4-methoxyphenyl)-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-12-15(19(23)16-11-21-22(2)20(16)24)9-10-17(28(4,25)26)18(12)13-5-7-14(27-3)8-6-13/h5-11,21H,1-4H3