4-[3-(1,3-benzodioxol-5-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-tert-butyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-tert-butyl-1H-pyrazol-3-one Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-2-methyl-4-methylsulfonyl-benzoyl]-2-tert-butyl-1H-pyrazol-3-one CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-tert-butyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-tert-butyl-1H-pyrazol-3-one Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-4-mesyl-2-methyl-benzoyl]-2-tert-butyl-3-pyrazolin-3-one Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)C4=CNN(C4=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)C(=O)C4=CNN(C4=O)C(C)(C)C

InChI

InChI=1S/C23H24N2O6S/c1-13-15(21(26)16-11-24-25(22(16)27)23(2,3)4)7-9-19(32(5,28)29)20(13)14-6-8-17-18(10-14)31-12-30-17/h6-11,24H,12H2,1-5H3