
 CHEMBL245331

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL245331

>  <PubChem CID>
44440075

>  <Formula>
C29H33Cl2N3O3S

>  <Molecular Weight>
574.561000

>  <IUPAC Name>
(2S)-1-(5-chloronaphthalen-2-yl)sulfonyl-N-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C1CCN(CC1)CCC2=CC=CC=C2Cl)C(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)C(=CC=C5)Cl

>  <Isomeric SMILES>
CN(C1CCN(CC1)CCC2=CC=CC=C2Cl)C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC5=C(C=C4)C(=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C29H33Cl2N3O3S/c1-32(23-14-18-33(19-15-23)17-13-21-6-2-3-8-26(21)30)29(35)28-10-5-16-34(28)38(36,37)24-11-12-25-22(20-24)7-4-9-27(25)31/h2-4,6-9,11-12,20,23,28H,5,10,13-19H2,1H3/t28-/m0/s1

>  <InChI Key>
DMOCNKLRPVVFNF-NDEPHWFRSA-N

