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21J

Summary
Name:N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
Formula:C18 H24 Cl2 N2 O6 S
Formal charge:0
Formula weight:467.364 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
OpenEye OEToolkits1.7.6N-[1-[2-[[5,7-bis(chloranyl)-2,2-dimethyl-1,3-benzodioxol-4-yl]oxy]ethanoyl]piperidin-4-yl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NC3CCN(C(=O)COc2c(Cl)cc(Cl)c1OC(Oc12)(C)C)CC3)CC
InChIInChI1.03InChI=1S/C18H24Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h9,11,21H,4-8,10H2,1-3H3
InChIKeyInChI1.03HZLWQWJVRYNNLF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2c(Cl)cc(Cl)c3OC(C)(C)Oc23
SMILESCACTVS3.385CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2c(Cl)cc(Cl)c3OC(C)(C)Oc23
SMILES_CANONICALOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl
SMILESOpenEye OEToolkits1.7.6CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl

223790

數據於2024-08-14公開中

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