4-[2-chloranyl-3-[(2R,6S)-2-methoxy-6-propan-2-yl-morpholin-4-yl]-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-[(2R,6S)-2-methoxy-6-propan-2-yl-morpholin-4-yl]-4-methylsulfonyl-phenyl]carbonyl-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-[2-chloro-3-[(2S,6R)-2-isopropyl-6-methoxy-morpholin-4-yl]-4-methylsulfonyl-benzoyl]-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[[2-chloro-3-[(2R,6S)-2-methoxy-6-propan-2-yl-4-morpholinyl]-4-methylsulfonylphenyl]-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-[2-chloro-3-[(2R,6S)-2-methoxy-6-propan-2-ylmorpholin-4-yl]-4-methylsulfonylbenzoyl]-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-[2-chloro-3-[(2S,6R)-2-isopropyl-6-methoxy-morpholino]-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)N3CC(OC(C3)OC)C(C)C)Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N3C[C@@H](O[C@H](C3)OC)C(C)C)Cl

InChI

InChI=1S/C21H28ClN3O6S/c1-6-25-21(27)14(9-23-25)20(26)13-7-8-16(32(5,28)29)19(18(13)22)24-10-15(12(2)3)31-17(11-24)30-4/h7-9,12,15,17,23H,6,10-11H2,1-5H3/t15-,17-/m1/s1