2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)phenyl]carbonyl-1H-pyrazol-3-one

Systemtic Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-1H-pyrazol-3-one CAS Name: 2-methyl-4-[[2-methyl-4-methylsulfonyl-3-(3-oxetanyloxy)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-3-yloxy)benzoyl]-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-2-methyl-3-(oxetan-3-yloxy)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC2COC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC(=C1OC2COC2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C16H18N2O6S/c1-9-11(14(19)12-6-17-18(2)16(12)20)4-5-13(25(3,21)22)15(9)24-10-7-23-8-10/h4-6,10,17H,7-8H2,1-3H3