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

Systemtic Name: 4-[2-chloranyl-5-(ethylsulfonylmethyl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-5-(ethylsulfonylmethyl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-5-(ethylsulfonylmethyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-5-(ethylsulfonylmethyl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-5-(esylmethyl)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H19ClN2O6S2 MolecularWeight: 434.91486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C(C=C2Cl)S(=O)(=O)C)CS(=O)(=O)CC

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC(=C(C=C2Cl)S(=O)(=O)C)CS(=O)(=O)CC

InChI

InChI=1S/C16H19ClN2O6S2/c1-4-19-16(21)12(8-18-19)15(20)11-6-10(9-27(24,25)5-2)14(7-13(11)17)26(3,22)23/h6-8,18H,4-5,9H2,1-3H3