
 CHEMBL2178747

 58 61  0  0  0  0  0  0  0  0999 V2000
    5.8631   -2.5076    1.2863 C   0  0  0  0  0
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    6.1863    0.6210   -4.6037 C   0  0  0  0  0
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    5.7707    0.6742    0.2355 H   0  0  0  0  0
    7.3880    0.1018   -1.4974 H   0  0  0  0  0
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    3.6704   -1.9819   -2.1313 H   0  0  0  0  0
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    3.5524   -0.5524   -0.1536 H   0  0  0  0  0
    3.4402   -2.2212    0.3339 H   0  0  0  0  0
    4.6005    0.8430   -1.7423 H   0  0  0  0  0
    5.7144    4.4529   -4.2770 H   0  0  0  0  0
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    4.2411    4.9757   -2.6047 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2178747

>  <PubChem CID>
71457214

>  <Formula>
C22H29N3O3S

>  <Molecular Weight>
415.552000

>  <IUPAC Name>
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1CCC(CC1)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC

>  <Isomeric SMILES>
CN1CCC(CC1)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)OC

>  <InChI Std. ID>
InChI=1S/C22H29N3O3S/c1-24-14-11-18(12-15-24)23-20-16-19(9-10-22(20)28-2)29(26,27)25-13-5-7-17-6-3-4-8-21(17)25/h3-4,6,8-10,16,18,23H,5,7,11-15H2,1-2H3

>  <InChI Key>
AIHLITTWPJSLHJ-UHFFFAOYSA-N

