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

Systemtic Name: 4-[2-chloranyl-3-(3-methylmorpholin-4-yl)-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-(3-methylmorpholin-4-yl)-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-(3-methyl-4-morpholinyl)-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-(3-methylmorpholin-4-yl)-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-4-mesyl-3-(3-methylmorpholino)benzoyl]-2-ethyl-3-pyrazolin-3-one Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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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)N3CCOCC3C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3CCOCC3C)Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-4-22-18(24)13(9-20-22)17(23)12-5-6-14(28(3,25)26)16(15(12)19)21-7-8-27-10-11(21)2/h5-6,9,11,20H,4,7-8,10H2,1-3H3