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

Systemtic Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)phenyl]carbonyl-1H-pyrazol-3-one Openeye Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-1H-pyrazol-3-one CAS Name: 2-methyl-4-[[2-methyl-4-methylsulfonyl-3-(2-oxetanylmethoxy)phenyl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-methyl-4-[2-methyl-4-methylsulfonyl-3-(oxetan-2-ylmethoxy)benzoyl]-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-2-methyl-3-(oxetan-2-ylmethoxy)benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C17H20N2O6S MolecularWeight: 380.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC2CCO2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

Isomeric SMILES

CC1=C(C=CC(=C1OCC2CCO2)S(=O)(=O)C)C(=O)C3=CNN(C3=O)C

InChI

InChI=1S/C17H20N2O6S/c1-10-12(15(20)13-8-18-19(2)17(13)21)4-5-14(26(3,22)23)16(10)25-9-11-6-7-24-11/h4-5,8,11,18H,6-7,9H2,1-3H3