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87G

Summary
Name:N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
Formula:C22 H19 F2 N3 O4 S
Formal charge:0
Formula weight:459.466 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
OpenEye OEToolkits2.0.6~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-(1-methyl-7-oxidanylidene-6~{H}-pyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)c4cn(C)c3c4C=CNC3=O
InChIInChI1.03InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)21-15(17)8-9-25-22(21)28/h4-12,26H,3H2,1-2H3,(H,25,28)
InChIKeyInChI1.03RWDOZZPKEZJESZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)c3cn(C)c4C(=O)NC=Cc34
SMILESCACTVS3.385CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)c3cn(C)c4C(=O)NC=Cc34
SMILES_CANONICALOpenEye OEToolkits2.0.6CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F
SMILESOpenEye OEToolkits2.0.6CCS(=O)(=O)Nc1ccc(c(c1)c2cn(c3c2C=CNC3=O)C)Oc4ccc(cc4F)F

223166

數據於2024-07-31公開中

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