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

Systemtic Name: 4-[3-(3-chloranyl-4-methoxy-phenyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(3-chloro-4-methoxy-phenyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[3-(3-chloro-4-methoxyphenyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(3-chloro-4-methoxyphenyl)-2-methyl-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[3-(3-chloro-4-methoxy-phenyl)-4-mesyl-2-methyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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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)C3=CC(=C(C=C3)OC)Cl)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)Cl)C

InChI

InChI=1S/C21H21ClN2O5S/c1-5-24-21(26)15(11-23-24)20(25)14-7-9-18(30(4,27)28)19(12(14)2)13-6-8-17(29-3)16(22)10-13/h6-11,23H,5H2,1-4H3