
 3-chloro-6-(4-((2-methoxyethyl)sulfonyl)piperazin-1-yl)-2,2'-bipyridine

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.6126    5.8115    2.3938 C   0  0  0  0  0
    2.9860    5.5744    2.1137 O   0  0  0  0  0
    3.1730    4.4336    1.2681 C   0  0  0  0  0
    4.6590    4.2947    1.0164 C   0  0  0  0  0
    4.9951    2.9733   -0.1308 S   0  0  0  0  0
    4.6013    1.7289    0.4924 O   0  0  0  0  0
    4.4912    3.3483   -1.4340 O   0  0  0  0  0
    6.6873    3.0138   -0.1994 N   0  0  0  0  0
    7.3800    1.7417   -0.5878 C   0  0  0  0  0
    7.5147    1.5644   -2.1142 C   0  0  0  0  0
    8.1361    2.7583   -2.7394 N   0  0  0  0  0
    7.4288    4.0096   -2.4039 C   0  0  0  0  0
    7.3211    4.1842   -0.8773 C   0  0  0  0  0
    8.5416    2.5720   -4.0691 C   0  0  0  0  0
    8.6351    1.3135   -4.5586 N   0  0  0  0  0
    9.0715    1.0826   -5.8450 C   0  0  0  0  0
    9.3850    2.1413   -6.6996 C   0  0  0  0  0
    9.3181    3.4329   -6.1936 C   0  0  0  0  0
    8.9207    3.6431   -4.8752 C   0  0  0  0  0
    9.8035    1.9915   -8.3687 Cl  0  0  0  0  0
    9.1879   -0.3536   -6.2065 C   0  0  0  0  0
    8.4065   -1.3358   -5.5929 C   0  0  0  0  0
    8.5619   -2.6727   -5.9602 C   0  0  0  0  0
    9.4948   -3.0087   -6.9308 C   0  0  0  0  0
   10.2450   -1.9905   -7.4852 C   0  0  0  0  0
   10.1188   -0.6913   -7.1381 N   0  0  0  0  0
    1.5420    6.6936    3.0364 H   0  0  0  0  0
    1.1769    4.9583    2.9215 H   0  0  0  0  0
    1.0615    6.0089    1.4695 H   0  0  0  0  0
    2.6307    4.5869    0.3280 H   0  0  0  0  0
    2.7755    3.5405    1.7630 H   0  0  0  0  0
    5.1901    4.0828    1.9494 H   0  0  0  0  0
    5.0478    5.2302    0.6064 H   0  0  0  0  0
    6.8751    0.8751   -0.1492 H   0  0  0  0  0
    8.3793    1.7691   -0.1344 H   0  0  0  0  0
    8.1278    0.6690   -2.2744 H   0  0  0  0  0
    6.5264    1.3869   -2.5569 H   0  0  0  0  0
    7.9649    4.8928   -2.7617 H   0  0  0  0  0
    6.4395    4.0114   -2.8740 H   0  0  0  0  0
    8.3243    4.3063   -0.4490 H   0  0  0  0  0
    6.7821    5.1076   -0.6513 H   0  0  0  0  0
    9.5775    4.2852   -6.8160 H   0  0  0  0  0
    8.9254    4.6631   -4.5138 H   0  0  0  0  0
    7.6805   -1.0647   -4.8322 H   0  0  0  0  0
    7.9572   -3.4426   -5.4899 H   0  0  0  0  0
    9.6369   -4.0362   -7.2451 H   0  0  0  0  0
   10.9914   -2.1928   -8.2482 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  8  1  0  0  0
  5  7  2  0  0  0
  5  6  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
3-chloro-6-(4-((2-methoxyethyl)sulfonyl)piperazin-1-yl)-2,2'-bipyridine

>  <PubChem CID>
67508061

>  <Formula>
C17H21ClN4O3S

>  <Molecular Weight>
396.890000

>  <IUPAC Name>
1-(5-chloro-6-pyridin-2-ylpyridin-2-yl)-4-(2-methoxyethylsulfonyl)piperazine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COCCS(=O)(=O)N1CCN(CC1)C2=NC(=C(C=C2)Cl)C3=CC=CC=N3

>  <Isomeric SMILES>
COCCS(=O)(=O)N1CCN(CC1)C2=NC(=C(C=C2)Cl)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C17H21ClN4O3S/c1-25-12-13-26(23,24)22-10-8-21(9-11-22)16-6-5-14(18)17(20-16)15-4-2-3-7-19-15/h2-7H,8-13H2,1H3

>  <InChI Key>
ADILYQIMCWQSFQ-UHFFFAOYSA-N

