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Summary
Name:(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
Formula:C11 H21 N O4 S
Formal charge:0
Formula weight:263.354 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
OpenEye OEToolkits2.0.7(1~{R},4~{R},5~{R},6~{S})-4,6-dimethoxy-2-methylsulfonyl-2-azabicyclo[3.3.1]nonane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CS(=O)(=O)N1CC(OC)C2CC1CCC2OC
InChIInChI1.06InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1
InChIKeyInChI1.06KAAQHBAJQWLEIG-ZNSHCXBVSA-N
SMILES_CANONICALCACTVS3.385CO[C@H]1CC[C@@H]2C[C@H]1[C@H](CN2[S](C)(=O)=O)OC
SMILESCACTVS3.385CO[CH]1CC[CH]2C[CH]1[CH](CN2[S](C)(=O)=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.7CO[C@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC
SMILESOpenEye OEToolkits2.0.7COC1CCC2CC1C(CN2S(=O)(=O)C)OC

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PDB entries from 2024-08-07

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