
 RS-67506

 55 56  0  0  0  0  0  0  0  0999 V2000
    0.2607   -3.0439    0.7794 C   0  0  0  0  0
    1.5415   -2.4339    0.9041 O   0  0  0  0  0
    1.5839   -1.1586    1.4026 C   0  0  0  0  0
    0.6204   -0.6974    2.3164 C   0  0  0  0  0
    0.6394    0.6147    2.8027 C   0  0  0  0  0
    1.7078    1.4430    2.4287 C   0  0  0  0  0
    2.6910    0.9927    1.5458 C   0  0  0  0  0
    2.6504   -0.3146    1.0318 C   0  0  0  0  0
    3.7837   -0.7071    0.1192 C   0  0  0  0  0
    4.5733    0.1583   -0.2570 O   0  0  0  0  0
    3.9300   -2.1503   -0.3197 C   0  0  0  0  0
    5.2920   -2.5061   -0.9198 C   0  0  0  0  0
    5.3837   -3.9569   -1.4525 C   0  0  0  0  0
    4.6608   -4.1197   -2.8014 C   0  0  0  0  0
    4.6125   -5.5842   -3.2605 C   0  0  0  0  0
    4.0582   -6.5073   -2.2505 N   0  0  0  0  0
    4.8602   -6.4111   -1.0229 C   0  0  0  0  0
    4.8998   -5.0029   -0.4314 C   0  0  0  0  0
    2.6063   -6.2649   -2.0673 C   0  0  0  0  0
    1.8897   -7.2126   -1.0873 C   0  0  0  0  0
    2.1094   -8.6063   -1.4845 N   0  0  0  0  0
    1.2730   -9.8215   -0.7110 S   0  0  0  0  0
   -0.1311   -9.4650   -0.7047 O   0  0  0  0  0
    1.7418  -11.0663   -1.2721 O   0  0  0  0  0
    1.8801   -9.7128    0.9595 C   0  0  0  0  0
    1.8205    3.0581    3.0369 Cl  0  0  0  0  0
   -0.2667    0.9791    3.8145 N   0  0  0  0  0
    0.3771   -3.9233    0.1379 H   0  0  0  0  0
   -0.4591   -2.3722    0.3007 H   0  0  0  0  0
   -0.1029   -3.3905    1.7513 H   0  0  0  0  0
   -0.1526   -1.3649    2.6862 H   0  0  0  0  0
    3.5031    1.6631    1.2693 H   0  0  0  0  0
    3.1374   -2.3498   -1.0469 H   0  0  0  0  0
    3.8017   -2.7659    0.5737 H   0  0  0  0  0
    6.0563   -2.3685   -0.1434 H   0  0  0  0  0
    5.5484   -1.8060   -1.7245 H   0  0  0  0  0
    6.4481   -4.1572   -1.6423 H   0  0  0  0  0
    5.1788   -3.5255   -3.5644 H   0  0  0  0  0
    3.6433   -3.7188   -2.7477 H   0  0  0  0  0
    4.0402   -5.6595   -4.1934 H   0  0  0  0  0
    5.6285   -5.9131   -3.5158 H   0  0  0  0  0
    4.5027   -7.1210   -0.2691 H   0  0  0  0  0
    5.8857   -6.7339   -1.2470 H   0  0  0  0  0
    3.8970   -4.7658   -0.0634 H   0  0  0  0  0
    5.5626   -4.9925    0.4423 H   0  0  0  0  0
    2.1217   -6.3865   -3.0454 H   0  0  0  0  0
    2.4018   -5.2389   -1.7427 H   0  0  0  0  0
    0.8186   -6.9861   -1.0979 H   0  0  0  0  0
    2.2620   -7.0485   -0.0722 H   0  0  0  0  0
    3.0579   -8.8348   -1.7993 H   0  0  0  0  0
    2.9677   -9.7838    0.9485 H   0  0  0  0  0
    1.4587  -10.5472    1.5237 H   0  0  0  0  0
    1.5491   -8.7701    1.4026 H   0  0  0  0  0
   -1.1730    0.5258    3.7634 H   0  0  0  0  0
   -0.3397    1.9888    3.9332 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
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 13 14  1  0  0  0
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 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 22 23  2  0  0  0
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 27 54  1  0  0  0
 27 55  1  0  0  0
M  END

>  <Chemical Name>
RS-67506

>  <PubChem CID>
133076

>  <Formula>
C18H28ClN3O4S

>  <Molecular Weight>
417.949000

>  <IUPAC Name>
N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N

>  <Isomeric SMILES>
COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N

>  <InChI Std. ID>
InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3

>  <InChI Key>
UATDVRSFFGFTAI-UHFFFAOYSA-N

