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

Systemtic Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-(ethoxymethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[3-(ethoxymethyl)-4-mesyl-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

Isomeric SMILES

CCOCC1=C(C=CC(=C1C)C(=O)C2=CNN(C2=O)C)S(=O)(=O)C

InChI

InChI=1S/C16H20N2O5S/c1-5-23-9-13-10(2)11(6-7-14(13)24(4,21)22)15(19)12-8-17-18(3)16(12)20/h6-8,17H,5,9H2,1-4H3