
 CHEMBL326990

 85 90  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL326990

>  <PubChem CID>
20689406

>  <Formula>
C34H41N3O6S

>  <Molecular Weight>
619.777000

>  <IUPAC Name>
[4-[4-[2-[4-(4-methoxyphenyl)sulfonylphenyl]-1,3-dioxolan-2-yl]piperidin-1-yl]piperidin-1-yl]-[2-(methylamino)phenyl]methanone

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CNC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCC(CC3)C4(OCCO4)C5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)OC

>  <Isomeric SMILES>
CNC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCC(CC3)C4(OCCO4)C5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)OC

>  <InChI Std. ID>
InChI=1S/C34H41N3O6S/c1-35-32-6-4-3-5-31(32)33(38)37-21-17-27(18-22-37)36-19-15-26(16-20-36)34(42-23-24-43-34)25-7-11-29(12-8-25)44(39,40)30-13-9-28(41-2)10-14-30/h3-14,26-27,35H,15-24H2,1-2H3

>  <InChI Key>
BXEUWKFFSRINDE-UHFFFAOYSA-N

