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Q5K

Summary
Name:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
Formula:C19 H16 F N3 O4 S
Formal charge:0
Formula weight:401.411 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
OpenEye OEToolkits2.0.7(2~{S})-~{N}-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-oxidanyl-2-pyridin-3-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChIInChI1.06InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
InChIKeyInChI1.06BPPBVZDPZTYCEJ-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385O[C@H](C(=O)Nc1ccccc1N[S](=O)(=O)c2ccc(F)cc2)c3cccnc3
SMILESCACTVS3.385O[CH](C(=O)Nc1ccccc1N[S](=O)(=O)c2ccc(F)cc2)c3cccnc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)NC(=O)[C@H](c2cccnc2)O)NS(=O)(=O)c3ccc(cc3)F
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)NC(=O)C(c2cccnc2)O)NS(=O)(=O)c3ccc(cc3)F

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건을2024-07-24부터공개중

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