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

Systemtic Name: 2-tert-butyl-4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[3-(4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[4-mesyl-3-(4-methoxyphenyl)-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C23H26N2O5S MolecularWeight: 442.52794

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,24H,1-6H3