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

Systemtic Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[2-methyl-4-methylsulfonyl-3-(3-oxetanyloxy)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-mesyl-2-methyl-3-(oxetan-3-yloxy)benzoyl]-3-pyrazolin-3-one Formula: C17H20N2O6S MolecularWeight: 380.4155

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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)OC3COC3)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC3COC3)C

InChI

InChI=1S/C17H20N2O6S/c1-4-19-17(21)13(7-18-19)15(20)12-5-6-14(26(3,22)23)16(10(12)2)25-11-8-24-9-11/h5-7,11,18H,4,8-9H2,1-3H3