
 CHEMBL206305

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL206305

>  <PubChem CID>
44408816

>  <Formula>
C24H31NO2S

>  <Molecular Weight>
397.577000

>  <IUPAC Name>
1-[4-[1-(benzenesulfonyl)cyclobutyl]butyl]-3-phenylpyrrolidine

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(C1)(CCCCN2CCC(C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC(C1)(CCCCN2CCC(C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H31NO2S/c26-28(27,23-12-5-2-6-13-23)24(16-9-17-24)15-7-8-18-25-19-14-22(20-25)21-10-3-1-4-11-21/h1-6,10-13,22H,7-9,14-20H2

>  <InChI Key>
AJDFXSUCMWUTDH-UHFFFAOYSA-N

