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

Systemtic Name: 5-(methoxymethyl)-4-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 5-(methoxymethyl)-4-[3-(methoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 5-(methoxymethyl)-4-[[3-(methoxymethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 5-(methoxymethyl)-4-[3-(methoxymethyl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-3-(methoxymethyl)-2-methyl-benzoyl]-5-(methoxymethyl)-2-methyl-3-pyrazolin-3-one Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1COC)S(=O)(=O)C)C(=O)C2=C(NN(C2=O)C)COC

Isomeric SMILES

CC1=C(C=CC(=C1COC)S(=O)(=O)C)C(=O)C2=C(NN(C2=O)C)COC

InChI

InChI=1S/C17H22N2O6S/c1-10-11(6-7-14(26(5,22)23)12(10)8-24-3)16(20)15-13(9-25-4)18-19(2)17(15)21/h6-7,18H,8-9H2,1-5H3