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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(2-oxetanylmethoxy)phenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)Cl

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-19-16(21)11(7-18-19)14(20)10-3-4-12(26(2,22)23)15(13(10)17)25-8-9-5-6-24-9/h3-4,7,9,18H,5-6,8H2,1-2H3