3,3-dimethyl-1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one Openeye Name: 3,3-dimethyl-1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one CAS Name: 3,3-dimethyl-1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]-2-butanone IUPAC Name: 3,3-dimethyl-1-[[5-(4-methylsulfonylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]butan-2-one Traditional Name: 1-[[5-(4-mesylphenyl)-4-phenyl-1H-pyrazol-3-yl]oxy]-3,3-dimethyl-butan-2-one Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=NNC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C(=O)COC1=NNC(=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H24N2O4S/c1-22(2,3)18(25)14-28-21-19(15-8-6-5-7-9-15)20(23-24-21)16-10-12-17(13-11-16)29(4,26)27/h5-13H,14H2,1-4H3,(H,23,24)