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L4Q

Summary
Name:4-hexylbenzenesulfonamide
Formula:C12 H19 N O2 S
Formal charge:0
Formula weight:241.35 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-hexylbenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H19NO2S/c1-2-3-4-5-6-11-7-9-12(10-8-11)16(13,14)15/h7-10H,2-6H2,1H3,(H2,13,14,15)
InChIKeyInChI1.03QGCVBPONRAFDHS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCc1ccc(cc1)[S](N)(=O)=O
SMILESCACTVS3.385CCCCCCc1ccc(cc1)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCc1ccc(cc1)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CCCCCCc1ccc(cc1)S(=O)(=O)N

220472

PDB entries from 2024-05-29

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