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UE7

Summary
Name:1-ethyl-3-(4-sulfamoylphenyl)urea
Synonyms:4-(3-ethylureido)benzenesulfonamide
Formula:C9 H13 N3 O3 S
Formal charge:0
Formula weight:243.283 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-ethyl-3-(4-sulfamoylphenyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13)
InChIKeyInChI1.06MMKFCCLMBRGOIK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
SMILESCACTVS3.385CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N

222926

數據於2024-07-24公開中

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