
 CHEMBL119294

 82 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL119294

>  <PubChem CID>
44343733

>  <Formula>
C34H38N2O7S

>  <Molecular Weight>
618.745000

>  <IUPAC Name>
[4-[4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-1,3-dioxolan-2-yl]piperidin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCC(CC3)C4(OCCO4)C5=CC=C(C=C5)S(=O)(=O)C6=CC7=C(C=C6)OCO7

>  <Isomeric SMILES>
CC1=CC=CC=C1C(=O)N2CCC(CC2)N3CCC(CC3)C4(OCCO4)C5=CC=C(C=C5)S(=O)(=O)C6=CC7=C(C=C6)OCO7

>  <InChI Std. ID>
InChI=1S/C34H38N2O7S/c1-24-4-2-3-5-30(24)33(37)36-18-14-27(15-19-36)35-16-12-26(13-17-35)34(42-20-21-43-34)25-6-8-28(9-7-25)44(38,39)29-10-11-31-32(22-29)41-23-40-31/h2-11,22,26-27H,12-21,23H2,1H3

>  <InChI Key>
BUCSERUOVJCXTC-UHFFFAOYSA-N

