
 CHEMBL3883921

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3883921

>  <PubChem CID>
134131307

>  <Formula>
C30H36N4O2S

>  <Molecular Weight>
516.704000

>  <IUPAC Name>
4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzyl-N-methylbutan-1-amine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CCCCN1CCN(CC1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

>  <Isomeric SMILES>
CN(CCCCN1CCN(CC1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H36N4O2S/c1-31(25-26-11-4-2-5-12-26)18-8-9-19-32-21-23-33(24-22-32)29-15-10-16-30-28(29)17-20-34(30)37(35,36)27-13-6-3-7-14-27/h2-7,10-17,20H,8-9,18-19,21-25H2,1H3

>  <InChI Key>
AFWXZBBWSCOFSI-UHFFFAOYSA-N

