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

Systemtic Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-isopropyl-1H-pyrazol-3-one CAS Name: 4-[[3-(ethoxymethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonylbenzoyl]-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 4-[3-(ethoxymethyl)-4-mesyl-2-methyl-benzoyl]-2-isopropyl-3-pyrazolin-3-one Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-6-25-10-15-12(4)13(7-8-16(15)26(5,23)24)17(21)14-9-19-20(11(2)3)18(14)22/h7-9,11,19H,6,10H2,1-5H3