4-[2-chloranyl-3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(2,6-dimethyl-4-morpholinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(2,6-dimethylmorpholin-4-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(2,6-dimethylmorpholino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C19H24ClN3O5S MolecularWeight: 441.92896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CC(OC(C3)C)C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CC(OC(C3)C)C)Cl

InChI

InChI=1S/C19H24ClN3O5S/c1-5-23-19(25)14(8-21-23)18(24)13-6-7-15(29(4,26)27)17(16(13)20)22-9-11(2)28-12(3)10-22/h6-8,11-12,21H,5,9-10H2,1-4H3