4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonyl-benzoyl]-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[[3-(ethoxymethyl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-[3-(ethoxymethyl)-2-methyl-4-methylsulfonylbenzoyl]-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-[3-(ethoxymethyl)-4-mesyl-2-methyl-benzoyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1C)C(=O)C2=C(NN(C2=O)C)C)S(=O)(=O)C

Isomeric SMILES

CCOCC1=C(C=CC(=C1C)C(=O)C2=C(NN(C2=O)C)C)S(=O)(=O)C

InChI

InChI=1S/C17H22N2O5S/c1-6-24-9-13-10(2)12(7-8-14(13)25(5,22)23)16(20)15-11(3)18-19(4)17(15)21/h7-8,18H,6,9H2,1-5H3