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3W6

Summary
Name:4-propoxybenzenesulfonamide
Formula:C9 H13 N O3 S
Formal charge:0
Formula weight:215.269 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(N)c1ccc(OCCC)cc1
InChIInChI1.03InChI=1S/C9H13NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKeyInChI1.03GWLVKQMJYAXAFM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCOc1ccc(cc1)[S](N)(=O)=O
SMILESCACTVS3.385CCCOc1ccc(cc1)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCOc1ccc(cc1)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6CCCOc1ccc(cc1)S(=O)(=O)N

221051

PDB entries from 2024-06-12

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