4-(2-methyl-4-methylsulfonyl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-(2-methyl-4-methylsulfonyl-phenyl)carbonyl-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-isopropyl-4-(2-methyl-4-methylsulfonyl-benzoyl)-1H-pyrazol-3-one CAS Name: 4-[(2-methyl-4-methylsulfonylphenyl)-oxomethyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 4-(2-methyl-4-methylsulfonylbenzoyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-isopropyl-4-(4-mesyl-2-methyl-benzoyl)-3-pyrazolin-3-one Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C(C)C

InChI

InChI=1S/C15H18N2O4S/c1-9(2)17-15(19)13(8-16-17)14(18)12-6-5-11(7-10(12)3)22(4,20)21/h5-9,16H,1-4H3