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4GB

Summary
Name:N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
Formula:C17 H26 N2 O4 S2
Formal charge:0
Formula weight:386.529 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
OpenEye OEToolkits1.9.2N-[5-(azepan-1-ylsulfonyl)-2-(ethylsulfanylmethoxy)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(c1ccc(OCSCC)c(c1)NC(=O)C)(=O)N2CCCCCC2
InChIInChI1.03InChI=1S/C17H26N2O4S2/c1-3-24-13-23-17-9-8-15(12-16(17)18-14(2)20)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)
InChIKeyInChI1.03AIEGOEOVERPZDG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCSCOc1ccc(cc1NC(C)=O)[S](=O)(=O)N2CCCCCC2
SMILESCACTVS3.385CCSCOc1ccc(cc1NC(C)=O)[S](=O)(=O)N2CCCCCC2
SMILES_CANONICALOpenEye OEToolkits1.9.2CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2
SMILESOpenEye OEToolkits1.9.2CCSCOc1ccc(cc1NC(=O)C)S(=O)(=O)N2CCCCCC2

222415

數據於2024-07-10公開中

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