4-[2-chloranyl-4-methylsulfonyl-3-(2-prop-2-enoxymorpholin-4-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(2-prop-2-enoxymorpholin-4-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(2-allyloxymorpholin-4-yl)-2-chloro-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(2-prop-2-enoxy-4-morpholinyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(2-prop-2-enoxymorpholin-4-yl)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[3-(2-allyloxymorpholino)-2-chloro-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C20H24ClN3O6S MolecularWeight: 469.93906

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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)N3CCOC(C3)OCC=C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCOC(C3)OCC=C)Cl

InChI

InChI=1S/C20H24ClN3O6S/c1-4-9-29-16-12-23(8-10-30-16)18-15(31(3,27)28)7-6-13(17(18)21)19(25)14-11-22-24(5-2)20(14)26/h4,6-7,11,16,22H,1,5,8-10,12H2,2-3H3