2-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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-tert-butyl-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: 2-tert-butyl-4-[4-mesyl-2-methyl-3-(4-oxa-3-azabicyclo[3.1.0]hex-2-en-2-yl)benzoyl]-3-pyrazolin-3-one Formula: C20H23N3O5S MolecularWeight: 417.47872

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-10-11(18(24)13-9-21-23(19(13)25)20(2,3)4)6-7-15(29(5,26)27)16(10)17-12-8-14(12)28-22-17/h6-7,9,12,14,21H,8H2,1-5H3