
 CHEMBL88455

 69 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL88455

>  <PubChem CID>
479835

>  <Formula>
C29H34N2O2S2

>  <Molecular Weight>
506.723000

>  <IUPAC Name>
N-methyl-N-(2-phenyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutyl)benzenesulfonamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC(CCN1CCC2(CC1)CSC3=CC=CC=C23)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC(CCN1CCC2(CC1)CSC3=CC=CC=C23)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H34N2O2S2/c1-30(35(32,33)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-34-28-15-9-8-14-27(28)29/h2-15,25H,16-23H2,1H3

>  <InChI Key>
APZFEOVXGQEKMJ-UHFFFAOYSA-N

