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

Systemtic Name: 5-[2-chloranyl-3-(2-methoxyethoxymethyl)-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 5-[2-chloro-3-(2-methoxyethoxymethyl)-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 5-[[2-chloro-3-(2-methoxyethoxymethyl)-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 5-[2-chloro-3-(2-methoxyethoxymethyl)-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 5-[2-chloro-4-mesyl-3-(2-methoxyethoxymethyl)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H19ClN2O6S MolecularWeight: 402.84986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COCCOC)Cl

Isomeric SMILES

CN1C(=O)C=C(N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COCCOC)Cl

InChI

InChI=1S/C16H19ClN2O6S/c1-19-14(20)8-12(18-19)16(21)10-4-5-13(26(3,22)23)11(15(10)17)9-25-7-6-24-2/h4-5,8,18H,6-7,9H2,1-3H3