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

Systemtic Name: 4-[2-chloranyl-3-(dimethoxymethyl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(dimethoxymethyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(dimethoxymethyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(dimethoxymethyl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(dimethoxymethyl)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H19ClN2O6S MolecularWeight: 402.84986

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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)C(OC)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O6S/c1-5-19-15(21)10(8-18-19)14(20)9-6-7-11(26(4,22)23)12(13(9)17)16(24-2)25-3/h6-8,16,18H,5H2,1-4H3