
 CHEMBL309922

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL309922

>  <PubChem CID>
478440

>  <Formula>
C30H38N4O3S

>  <Molecular Weight>
534.719000

>  <IUPAC Name>
1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-benzylurea

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(CC(CCN1CCC(CC1)NC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H38N4O3S/c1-33(38(36,37)29-15-9-4-10-16-29)24-27(26-13-7-3-8-14-26)17-20-34-21-18-28(19-22-34)32-30(35)31-23-25-11-5-2-6-12-25/h2-16,27-28H,17-24H2,1H3,(H2,31,32,35)

>  <InChI Key>
AARBZINJGYTIMT-UHFFFAOYSA-N

