2-methyl-4-[2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoyl]-1H-pyrazol-3-one CAS Name: 2-methyl-4-[[2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoyl]-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-2-methyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC3C2C3)S(=O)(=O)C)C(=O)C4=CNN(C4=O)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC3C2C3)S(=O)(=O)C)C(=O)C4=CNN(C4=O)C

InChI

InChI=1S/C17H17N3O5S/c1-8-9(16(21)11-7-18-20(2)17(11)22)4-5-13(26(3,23)24)14(8)15-10-6-12(10)25-19-15/h4-5,7,10,12,18H,6H2,1-3H3