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2QJ

Summary
Name:(2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
Formula:C16 H12 Br Cl F3 N O4 S
Formal charge:0
Formula weight:486.688 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
OpenEye OEToolkits1.7.6(2R)-N-[4-(3-bromophenyl)sulfonyl-2-chloranyl-phenyl]-3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1cc(Br)ccc1)c2ccc(NC(=O)C(O)(C)C(F)(F)F)c(Cl)c2
InChIInChI1.03InChI=1S/C16H12BrClF3NO4S/c1-15(24,16(19,20)21)14(23)22-13-6-5-11(8-12(13)18)27(25,26)10-4-2-3-9(17)7-10/h2-8,24H,1H3,(H,22,23)/t15-/m1/s1
InChIKeyInChI1.03NPCYFKFOPWAEFV-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385C[C@@](O)(C(=O)Nc1ccc(cc1Cl)[S](=O)(=O)c2cccc(Br)c2)C(F)(F)F
SMILESCACTVS3.385C[C](O)(C(=O)Nc1ccc(cc1Cl)[S](=O)(=O)c2cccc(Br)c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O
SMILESOpenEye OEToolkits1.7.6CC(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O

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건을2024-07-10부터공개중

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