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

Systemtic Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[4-mesyl-3-(4-mesylphenyl)-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26N2O6S2/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(33(6,30)31)20(14)15-7-9-16(10-8-15)32(5,28)29/h7-13,24H,1-6H3