
 CHEMBL545444

 62 64  0  0  0  0  0  0  0  0999 V2000
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    1.1650    3.0021   -1.5108 Cl  0  0  0  0  0
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    1.1000   -0.5757   -0.2401 H   0  0  0  0  0
    3.2461   -0.9736    1.8964 H   0  0  0  0  0
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    3.6831   -2.9321    2.2765 H   0  0  0  0  0
    3.0211    1.1367   -0.2069 H   0  0  0  0  0
    5.3645    0.7195    0.3631 H   0  0  0  0  0
    4.9072    0.7154    2.0949 H   0  0  0  0  0
    4.4436    3.0934    0.1754 H   0  0  0  0  0
    3.9329    2.7214    3.2194 H   0  0  0  0  0
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    1.2497    1.7922   -2.1613 H   0  0  0  0  0
  1  2  1  0  0  0
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  2 13  1  0  0  0
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 33 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL545444

>  <PubChem CID>
45260474

>  <Formula>
C27H29ClN2O2S

>  <Molecular Weight>
481.051000

>  <IUPAC Name>
N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C27H28N2O2S.ClH/c1-21(26-18-10-14-23-13-8-9-17-27(23)26)28-20-24(19-22-11-4-2-5-12-22)29-32(30,31)25-15-6-3-7-16-25;/h2-18,21,24,28-29H,19-20H2,1H3;1H

>  <InChI Key>
FHVSCXKGPSIMTD-UHFFFAOYSA-N

