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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(2-oxetanylmethoxy)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O6S/c1-3-20-17(22)12(8-19-20)15(21)11-4-5-13(27(2,23)24)16(14(11)18)26-9-10-6-7-25-10/h4-5,8,10,19H,3,6-7,9H2,1-2H3