(3-morpholin-4-ylsulfonylphenyl)-[(3S)-3-oxidanyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)-[(3S)-3-oxidanyl-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]methanone Openeye Name: [(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-morpholinosulfonylphenyl)methanone CAS Name: [(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-[3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [(3S)-3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [(5S)-5-hydroxy-3-phenyl-5-(trifluoromethyl)-3-pyrazolin-1-yl]-(3-morpholinosulfonylphenyl)methanone Formula: C21H20F3N3O5S MolecularWeight: 483.46081

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(C=C(N3)C4=CC=CC=C4)(C(F)(F)F)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N3[C@](C=C(N3)C4=CC=CC=C4)(C(F)(F)F)O

InChI

InChI=1S/C21H20F3N3O5S/c22-21(23,24)20(29)14-18(15-5-2-1-3-6-15)25-27(20)19(28)16-7-4-8-17(13-16)33(30,31)26-9-11-32-12-10-26/h1-8,13-14,25,29H,9-12H2/t20-/m0/s1