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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COCC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)COCC)C

InChI

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