
 CHEMBL117400

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL117400

>  <PubChem CID>
9850107

>  <Formula>
C29H33FN4O3S

>  <Molecular Weight>
536.666000

>  <IUPAC Name>
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC2=C(C=CC(=C2)F)C(C1NC(=O)CN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)CC5=CN=CC=C5

>  <Isomeric SMILES>
C1CC2=C(C=CC(=C2)F)C(C1NC(=O)CN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4)CC5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H33FN4O3S/c30-23-9-10-26-22(18-23)8-11-28(27(26)17-21-5-4-14-31-19-21)32-29(35)20-34-15-12-24(13-16-34)33-38(36,37)25-6-2-1-3-7-25/h1-7,9-10,14,18-19,24,27-28,33H,8,11-13,15-17,20H2,(H,32,35)

>  <InChI Key>
AIUQNVGODUWATC-UHFFFAOYSA-N

