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TV4

Summary
Name:N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
Formula:C15 H15 Br F2 N4 O3 S
Formal charge:0
Formula weight:449.27 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
OpenEye OEToolkits1.7.2N-(6-azanyl-5-bromanyl-pyridin-3-yl)-2,6-bis(fluoranyl)-3-(propylsulfonylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc2cc(NC(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F)cnc2N
InChIInChI1.03InChI=1S/C15H15BrF2N4O3S/c1-2-5-26(24,25)22-11-4-3-10(17)12(13(11)18)15(23)21-8-6-9(16)14(19)20-7-8/h3-4,6-7,22H,2,5H2,1H3,(H2,19,20)(H,21,23)
InChIKeyInChI1.03OJZKGEWGLIEDBZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)Nc2cnc(N)c(Br)c2
SMILESCACTVS3.370CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)Nc2cnc(N)c(Br)c2
SMILES_CANONICALOpenEye OEToolkits1.7.2CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F
SMILESOpenEye OEToolkits1.7.2CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc(c(nc2)N)Br)F

222926

數據於2024-07-24公開中

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