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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-2-ethyl-5-methyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-ethyl-5-methyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(2-oxetanylmethoxy)phenyl]-oxomethyl]-2-ethyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-ethyl-5-methyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-ethyl-5-methyl-3-pyrazolin-3-one Formula: C18H21ClN2O6S MolecularWeight: 428.88714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)Cl

Isomeric SMILES

CCN1C(=O)C(=C(N1)C)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCC3CCO3)Cl

InChI

InChI=1S/C18H21ClN2O6S/c1-4-21-18(23)14(10(2)20-21)16(22)12-5-6-13(28(3,24)25)17(15(12)19)27-9-11-7-8-26-11/h5-6,11,20H,4,7-9H2,1-3H3