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2UX

Summary
Name:(2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
Formula:C20 H17 F3 N2 O3 S
Formal charge:0
Formula weight:422.421 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-{4'-[(6-aminopyridin-3-yl)sulfonyl]biphenyl-4-yl}-1,1,1-trifluoropropan-2-ol
OpenEye OEToolkits1.7.6(2S)-2-[4-[4-(6-azanylpyridin-3-yl)sulfonylphenyl]phenyl]-1,1,1-tris(fluoranyl)propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1cnc(N)cc1)c3ccc(c2ccc(cc2)C(O)(C)C(F)(F)F)cc3
InChIInChI1.03InChI=1S/C20H17F3N2O3S/c1-19(26,20(21,22)23)15-6-2-13(3-7-15)14-4-8-16(9-5-14)29(27,28)17-10-11-18(24)25-12-17/h2-12,26H,1H3,(H2,24,25)/t19-/m0/s1
InChIKeyInChI1.03XOWBHNIRCZERRH-IBGZPJMESA-N
SMILES_CANONICALCACTVS3.385C[C@](O)(c1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F
SMILESCACTVS3.385C[C](O)(c1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccc(N)nc3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O
SMILESOpenEye OEToolkits1.7.6CC(c1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccc(nc3)N)(C(F)(F)F)O

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건을2024-07-10부터공개중

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