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IL3

Summary
Name:1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene
Formula:C11 H14 N2 O3 S
Formal charge:0
Formula weight:254.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.61-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H14N2O3S/c1-2-3-8-16-11-6-4-10(5-7-11)9-13-17(12,14)15/h4-7,13H,8-9H2,1H3,(H2,12,14,15)
InChIKeyInChI1.03YCDIYRUTYILYGJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC#CCOc1ccc(CN[S](N)(=O)=O)cc1
SMILESCACTVS3.385CC#CCOc1ccc(CN[S](N)(=O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC#CCOc1ccc(cc1)CNS(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6CC#CCOc1ccc(cc1)CNS(=O)(=O)N

223532

PDB entries from 2024-08-07

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