4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(2-oxetanylmethoxy)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(oxetan-2-ylmethoxy)benzoyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C17H19ClN2O6S MolecularWeight: 414.86056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)Cl

InChI

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