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

Systemtic Name: 4-[2-chloranyl-3-(2-methoxymorpholin-4-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2-methoxymorpholin-4-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(2-methoxy-4-morpholinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(2-methoxymorpholin-4-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(2-methoxymorpholino)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C18H22ClN3O6S MolecularWeight: 443.90178

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)N3CCOC(C3)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O6S/c1-4-22-18(24)12(9-20-22)17(23)11-5-6-13(29(3,25)26)16(15(11)19)21-7-8-28-14(10-21)27-2/h5-6,9,14,20H,4,7-8,10H2,1-3H3