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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(2-oxidanylmorpholin-4-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2-hydroxymorpholin-4-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(2-hydroxy-4-morpholinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(2-hydroxymorpholin-4-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(2-hydroxymorpholino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C17H20ClN3O6S MolecularWeight: 429.8752

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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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O6S/c1-3-21-17(24)11(8-19-21)16(23)10-4-5-12(28(2,25)26)15(14(10)18)20-6-7-27-13(22)9-20/h4-5,8,13,19,22H,3,6-7,9H2,1-2H3