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9FM

Summary
Name:N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
Formula:C20 H33 N5 O6 S
Formal charge:0
Formula weight:471.571 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide
OpenEye OEToolkits2.0.6~{N}-[2-(2-hexoxyethoxy)ethyl]-2-[methyl-[[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]amino]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(c2nonc12)S(=O)(N(C)CC(=O)NCCOCCOCCCCCC)=O)NC
InChIInChI1.03InChI=1S/C20H33N5O6S/c1-4-5-6-7-11-29-13-14-30-12-10-22-18(26)15-25(3)32(27,28)17-9-8-16(21-2)19-20(17)24-31-23-19/h8-9,21H,4-7,10-15H2,1-3H3,(H,22,26)
InChIKeyInChI1.03BINKCYCULJAFGO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCOCCOCCNC(=O)CN(C)[S](=O)(=O)c1ccc(NC)c2nonc12
SMILESCACTVS3.385CCCCCCOCCOCCNC(=O)CN(C)[S](=O)(=O)c1ccc(NC)c2nonc12
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC
SMILESOpenEye OEToolkits2.0.6CCCCCCOCCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1non2)NC

218853

PDB entries from 2024-04-24

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