
 MLS000862743

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M  END

>  <Chemical Name>
MLS000862743

>  <PubChem CID>
25086305

>  <Formula>
C22H35NO5S

>  <Molecular Weight>
425.584000

>  <IUPAC Name>
ethyl 4-(cyclopropylmethyl)-1-[[(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methylsulfonyl]piperidine-4-carboxylate

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1(CCN(CC1)S(=O)(=O)CC23CCC(C2(C)C)CC3=O)CC4CC4

>  <Isomeric SMILES>
CCOC(=O)C1(CCN(CC1)S(=O)(=O)C[C@@]23CC[C@@H](C2(C)C)CC3=O)CC4CC4

>  <InChI Std. ID>
InChI=1S/C22H35NO5S/c1-4-28-19(25)21(14-16-5-6-16)9-11-23(12-10-21)29(26,27)15-22-8-7-17(13-18(22)24)20(22,2)3/h16-17H,4-15H2,1-3H3/t17-,22-/m1/s1

>  <InChI Key>
FWQDBPMNMGTDJR-VGOFRKELSA-N

