
 CHEMBL1085836

 73 78  0  0  0  0  0  0  0  0999 V2000
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    9.8484    1.6298    4.4364 H   0  0  0  0  0
    8.9728    2.6723    3.3137 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1085836

>  <PubChem CID>
46890059

>  <Formula>
C32H33N3O4S

>  <Molecular Weight>
555.693000

>  <IUPAC Name>
N-(1-benzylpiperidin-4-yl)-1-(4-methoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindole-3-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC(C4=CC=CC=C43)C(=O)NC5CCN(CC5)CC6=CC=CC=C6

>  <Isomeric SMILES>
COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)N3CC(C4=CC=CC=C43)C(=O)NC5CCN(CC5)CC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C32H33N3O4S/c1-39-30-15-16-31(27-13-6-5-12-26(27)30)40(37,38)35-22-28(25-11-7-8-14-29(25)35)32(36)33-24-17-19-34(20-18-24)21-23-9-3-2-4-10-23/h2-16,24,28H,17-22H2,1H3,(H,33,36)

>  <InChI Key>
ACOAEBWKCOUSCQ-UHFFFAOYSA-N

