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

Systemtic Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-4-methylsulfonyl-3-(2-oxetanylmethoxy)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-mesyl-2-methyl-3-(oxetan-2-ylmethoxy)benzoyl]-3-pyrazolin-3-one Formula: C18H22N2O6S MolecularWeight: 394.44208

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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)OCC3CCO3)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)C

InChI

InChI=1S/C18H22N2O6S/c1-4-20-18(22)14(9-19-20)16(21)13-5-6-15(27(3,23)24)17(11(13)2)26-10-12-7-8-25-12/h5-6,9,12,19H,4,7-8,10H2,1-3H3