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

Systemtic Name: 4-[3-(2,2-dimethoxyethoxy)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(2,2-dimethoxyethoxy)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-(2,2-dimethoxyethoxy)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(2,2-dimethoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[3-(2,2-dimethoxyethoxy)-4-mesyl-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC(OC)OC)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C

Isomeric SMILES

CC1=C(C=CC(=C1OCC(OC)OC)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C

InChI

InChI=1S/C17H22N2O7S/c1-10-11(15(20)12-8-18-19(2)17(12)21)6-7-13(27(5,22)23)16(10)26-9-14(24-3)25-4/h6-8,14,18H,9H2,1-5H3