2-tert-butyl-4-[3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[3-[5-(chloromethyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonyl-benzoyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[3-[5-(chloromethyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonylbenzoyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[3-[5-(chloromethyl)-2-isoxazolin-3-yl]-4-mesyl-2-methyl-benzoyl]-3-pyrazolin-3-one Formula: C20H24ClN3O5S MolecularWeight: 453.93966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC(C2)CCl)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC(C2)CCl)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C(C)(C)C

InChI

InChI=1S/C20H24ClN3O5S/c1-11-13(18(25)14-10-22-24(19(14)26)20(2,3)4)6-7-16(30(5,27)28)17(11)15-8-12(9-21)29-23-15/h6-7,10,12,22H,8-9H2,1-5H3