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

Systemtic Name: 2-tert-butyl-4-(2-chloranyl-4-methylsulfonyl-3-phenyl-phenyl)carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-(2-chloro-4-methylsulfonyl-3-phenyl-benzoyl)-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[(2-chloro-4-methylsulfonyl-3-phenylphenyl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-(2-chloro-4-methylsulfonyl-3-phenylbenzoyl)-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-(2-chloro-4-mesyl-3-phenyl-benzoyl)-3-pyrazolin-3-one Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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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=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-21(2,3)24-20(26)15(12-23-24)19(25)14-10-11-16(29(4,27)28)17(18(14)22)13-8-6-5-7-9-13/h5-12,23H,1-4H3