2-tert-butyl-4-[2-chloranyl-3-(4-methoxyphenyl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[2-chloranyl-3-(4-methoxyphenyl)-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[2-chloro-3-(4-methoxyphenyl)-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-chloro-3-(4-methoxyphenyl)-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-chloro-3-(4-methoxyphenyl)-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[2-chloro-4-mesyl-3-(4-methoxyphenyl)benzoyl]-3-pyrazolin-3-one Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C22H23ClN2O5S/c1-22(2,3)25-21(27)16(12-24-25)20(26)15-10-11-17(31(5,28)29)18(19(15)23)13-6-8-14(30-4)9-7-13/h6-12,24H,1-5H3