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

Systemtic Name: 4-[2-chloranyl-3-[2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[3-(2-tert-butoxymorpholin-4-yl)-2-chloro-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-[2-[(2-methylpropan-2-yl)oxy]-4-morpholinyl]-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-[2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[3-(2-tert-butoxymorpholino)-2-chloro-4-mesyl-benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C21H28ClN3O6S MolecularWeight: 485.98152

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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)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)C)Cl

InChI

InChI=1S/C21H28ClN3O6S/c1-6-25-20(27)14(11-23-25)19(26)13-7-8-15(32(5,28)29)18(17(13)22)24-9-10-30-16(12-24)31-21(2,3)4/h7-8,11,16,23H,6,9-10,12H2,1-5H3