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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(1,3-oxazinan-3-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-4-methylsulfonyl-3-(1,3-oxazinan-3-yl)benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(1,3-oxazinan-3-yl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(1,3-oxazinan-3-yl)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(1,3-oxazinan-3-yl)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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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)N3CCCOC3)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCCOC3)Cl

InChI

InChI=1S/C17H20ClN3O5S/c1-3-21-17(23)12(9-19-21)16(22)11-5-6-13(27(2,24)25)15(14(11)18)20-7-4-8-26-10-20/h5-6,9,19H,3-4,7-8,10H2,1-2H3