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EGE

Summary
Name:4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
Formula:C18 H15 N5 O5 S
Formal charge:0
Formula weight:413.407 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.64-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H15N5O5S/c19-14-10-16(24)13(18(25)26)9-15(14)22-21-11-4-6-12(7-5-11)29(27,28)23-17-3-1-2-8-20-17/h1-10,24H,19H2,(H,20,23)(H,25,26)/b22-21+
InChIKeyInChI1.03KIEQFSOPBAHUOM-QURGRASLSA-N
SMILES_CANONICALCACTVS3.385Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O
SMILESCACTVS3.385Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(cc3N)O)C(=O)O
SMILESOpenEye OEToolkits2.0.6c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3cc(c(cc3N)O)C(=O)O

217705

数据于2024-03-27公开中

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