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3W3

Summary
Name:4-(allyloxy)benzenesulfonamide
Synonyms:4-(prop-2-en-1-yloxy)benzenesulfonamide
Formula:C9 H11 N O3 S
Formal charge:0
Formula weight:213.254 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(prop-2-en-1-yloxy)benzenesulfonamide
OpenEye OEToolkits1.7.64-prop-2-enoxybenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(OC\C=C)cc1
InChIInChI1.03InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
InChIKeyInChI1.03OYORSBMGLVESSS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(OCC=C)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(OCC=C)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6C=CCOc1ccc(cc1)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6C=CCOc1ccc(cc1)S(=O)(=O)N

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PDB entries from 2024-04-24

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