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

Systemtic Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(4-methylsulfonylphenyl)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-mesyl-3-(4-mesylphenyl)-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H22N2O6S2/c1-5-23-21(25)17(12-22-23)20(24)16-10-11-18(31(4,28)29)19(13(16)2)14-6-8-15(9-7-14)30(3,26)27/h6-12,22H,5H2,1-4H3