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

Systemtic Name: 4-[3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-[5-(chloromethyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-[5-(chloromethyl)-4,5-dihydroisoxazol-3-yl]-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-[5-(chloromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[3-[5-(chloromethyl)-2-isoxazolin-3-yl]-4-mesyl-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O5S/c1-9-11(16(22)12-8-19-21(2)17(12)23)4-5-14(27(3,24)25)15(9)13-6-10(7-18)26-20-13/h4-5,8,10,19H,6-7H2,1-3H3