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

Systemtic Name: 4-[3-(1-methoxyethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[3-(1-methoxyethyl)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[[3-(1-methoxyethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(1-methoxyethyl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[4-mesyl-3-(1-methoxyethyl)-2-methyl-benzoyl]-2-methyl-3-pyrazolin-3-one Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(C)OC)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C

Isomeric SMILES

CC1=C(C=CC(=C1C(C)OC)S(=O)(=O)C)C(=O)C2=CNN(C2=O)C

InChI

InChI=1S/C16H20N2O5S/c1-9-11(15(19)12-8-17-18(3)16(12)20)6-7-13(24(5,21)22)14(9)10(2)23-4/h6-8,10,17H,1-5H3