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8PM

Summary
Name:N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide
Formula:C17 H27 N5 O3 S2
Formal charge:0
Formula weight:413.558 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-{[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl}-N-hexyl-N~2~-methylglycinamide
OpenEye OEToolkits2.0.62-[[7-(dimethylamino)-2,1,3-benzothiadiazol-4-yl]sulfonyl-methyl-amino]-~{N}-hexyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(c2c(c(N(C)C)cc1)nsn2)S(=O)(N(C)CC(NCCCCCC)=O)=O
InChIInChI1.03InChI=1S/C17H27N5O3S2/c1-5-6-7-8-11-18-15(23)12-22(4)27(24,25)14-10-9-13(21(2)3)16-17(14)20-26-19-16/h9-10H,5-8,11-12H2,1-4H3,(H,18,23)
InChIKeyInChI1.03YUOVTFFLGDNVBD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCNC(=O)CN(C)[S](=O)(=O)c1ccc(N(C)C)c2nsnc12
SMILESCACTVS3.385CCCCCCNC(=O)CN(C)[S](=O)(=O)c1ccc(N(C)C)c2nsnc12
SMILES_CANONICALOpenEye OEToolkits2.0.6CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C
SMILESOpenEye OEToolkits2.0.6CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(c2c1nsn2)N(C)C

223166

数据于2024-07-31公开中

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