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3W8

Summary
Name:4-ethoxybenzenesulfonamide
Formula:C8 H11 N O3 S
Formal charge:0
Formula weight:201.243 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-ethoxybenzenesulfonamide
OpenEye OEToolkits1.7.64-ethoxybenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(OCC)cc1
InChIInChI1.03InChI=1S/C8H11NO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChIKeyInChI1.03ILKGEOVHANZEFC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc(cc1)[S](N)(=O)=O
SMILESCACTVS3.385CCOc1ccc(cc1)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOc1ccc(cc1)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6CCOc1ccc(cc1)S(=O)(=O)N

223532

PDB entries from 2024-08-07

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