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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-3-yloxy)phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(3-oxetanyloxy)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(oxetan-3-yloxy)benzoyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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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)OC3COC3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OC3COC3)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-8-12(16(21)19(2)18-8)14(20)10-4-5-11(26(3,22)23)15(13(10)17)25-9-6-24-7-9/h4-5,9,18H,6-7H2,1-3H3