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579

Summary
Name:4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide
Formula:C20 H24 F N3 O5 S
Formal charge:0
Formula weight:437.485 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.9.24-ethanoyl-3-ethyl-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-5-methyl-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCc1c(C(C)=O)c(nc1C(Nc2ccc(c(c2)S(N3CCOCC3)(=O)=O)F)=O)C
InChIInChI1.03InChI=1S/C20H24FN3O5S/c1-4-15-18(13(3)25)12(2)22-19(15)20(26)23-14-5-6-16(21)17(11-14)30(27,28)24-7-9-29-10-8-24/h5-6,11,22H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyInChI1.03RSEHJHAXRJAMML-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2ccc(F)c(c2)[S](=O)(=O)N3CCOCC3
SMILESCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2ccc(F)c(c2)[S](=O)(=O)N3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C
SMILESOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C

222415

數據於2024-07-10公開中

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