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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-3-yloxy)phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(3-oxetanyloxy)phenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(oxetan-3-yloxy)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C15H15ClN2O6S MolecularWeight: 386.8074

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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)OC3COC3)Cl

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC3COC3)Cl

InChI

InChI=1S/C15H15ClN2O6S/c1-18-15(20)10(5-17-18)13(19)9-3-4-11(25(2,21)22)14(12(9)16)24-8-6-23-7-8/h3-5,8,17H,6-7H2,1-2H3