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21R

Summary
Name:N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
Formula:C17 H25 Cl2 N3 O3 S
Formal charge:0
Formula weight:422.37 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{1-[N-(4,5-dichloro-2-ethylphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
OpenEye OEToolkits1.7.6N-[1-[2-[[4,5-bis(chloranyl)-2-ethyl-phenyl]amino]ethanoyl]piperidin-4-yl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2CC
InChIInChI1.03InChI=1S/C17H25Cl2N3O3S/c1-3-12-9-14(18)15(19)10-16(12)20-11-17(23)22-7-5-13(6-8-22)21-26(24,25)4-2/h9-10,13,20-21H,3-8,11H2,1-2H3
InChIKeyInChI1.03PGWCCYGESSQJDE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC
SMILESCACTVS3.385CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl
SMILESOpenEye OEToolkits1.7.6CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl

222926

數據於2024-07-24公開中

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