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5YP

Summary
Name:4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
Formula:C24 H18 F N3 O4 S2
Formal charge:0
Formula weight:495.546 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H18FN3O4S2/c1-15(29)17-4-3-7-20(13-17)28-34(31,32)21-10-8-16(9-11-21)23(30)27-24-26-22(14-33-24)18-5-2-6-19(25)12-18/h2-14,28H,1H3,(H,26,27,30)
InChIKeyInChI1.03VUAMLKVINZWIJR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)c1cccc(N[S](=O)(=O)c2ccc(cc2)C(=O)Nc3scc(n3)c4cccc(F)c4)c1
SMILESCACTVS3.385CC(=O)c1cccc(N[S](=O)(=O)c2ccc(cc2)C(=O)Nc3scc(n3)c4cccc(F)c4)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)c1cccc(c1)NS(=O)(=O)c2ccc(cc2)C(=O)Nc3nc(cs3)c4cccc(c4)F
SMILESOpenEye OEToolkits2.0.7CC(=O)c1cccc(c1)NS(=O)(=O)c2ccc(cc2)C(=O)Nc3nc(cs3)c4cccc(c4)F

222415

數據於2024-07-10公開中

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