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

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

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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)OCCC3CCO3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCCC3CCO3)Cl

InChI

InChI=1S/C18H21ClN2O6S/c1-3-21-18(23)13(10-20-21)16(22)12-4-5-14(28(2,24)25)17(15(12)19)27-9-7-11-6-8-26-11/h4-5,10-11,20H,3,6-9H2,1-2H3