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

Systemtic Name: 4-[2-chloranyl-4-methylsulfonyl-3-(2-propan-2-yloxymorpholin-4-yl)phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(2-isopropoxymorpholin-4-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-4-methylsulfonyl-3-(2-propan-2-yloxy-4-morpholinyl)phenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-4-methylsulfonyl-3-(2-propan-2-yloxymorpholin-4-yl)benzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-(2-isopropoxymorpholino)-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C20H26ClN3O6S MolecularWeight: 471.95494

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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)OC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O6S/c1-5-24-20(26)14(10-22-24)19(25)13-6-7-15(31(4,27)28)18(17(13)21)23-8-9-29-16(11-23)30-12(2)3/h6-7,10,12,16,22H,5,8-9,11H2,1-4H3