
 eut-22

 59 62  0  0  0  0  0  0  0  0999 V2000
    7.9573   -2.6758   -0.6539 C   0  0  0  0  0
    7.6248   -2.8932   -2.1314 C   0  0  0  0  0
    6.1331   -3.1645   -2.3513 C   0  0  0  0  0
    5.2689   -1.9223   -2.1440 C   0  0  0  0  0
    5.7413   -0.7710   -2.9167 N   0  0  0  0  0
    7.1733   -0.4738   -2.7874 C   0  0  0  0  0
    8.0517   -1.7046   -2.9978 C   0  0  0  0  0
    4.7809    0.2182   -3.1884 C   0  0  0  0  0
    3.6167    0.1163   -2.7917 O   0  0  0  0  0
    5.1675    1.4206   -4.0865 C   0  0  0  0  0
    5.9950    2.4479   -3.3123 C   0  0  0  0  0
    5.3938    3.8521   -3.4299 C   0  0  0  0  0
    5.9587    4.7692   -2.4474 N   0  0  0  0  0
    7.1436    5.4437   -2.6120 C   0  0  0  0  0
    7.3567    6.2125   -1.4894 C   0  0  0  0  0
    6.2614    5.9977   -0.6185 C   0  0  0  0  0
    5.4078    5.1017   -1.2317 C   0  0  0  0  0
    4.1770    4.6017   -0.7121 C   0  0  0  0  0
    3.1764    4.1820   -0.3111 N   0  0  0  0  0
    5.8407    0.8504   -5.2647 N   0  0  0  0  0
    6.1123    1.6502   -6.6853 S   0  0  0  0  0
    6.6876    2.9312   -6.3335 O   0  0  0  0  0
    6.8211    0.7114   -7.5262 O   0  0  0  0  0
    4.5563    1.9737   -7.4729 C   0  0  0  0  0
    4.6020    2.9363   -8.5056 C   0  0  0  0  0
    3.4518    3.3285   -9.1816 C   0  0  0  0  0
    2.2115    2.8021   -8.8300 C   0  0  0  0  0
    2.1724    1.8397   -7.8137 C   0  0  0  0  0
    3.3165    1.3763   -7.1476 C   0  0  0  0  0
    2.8614    0.3425   -6.2766 C   0  0  0  0  0
    1.4892    0.2830   -6.3447 C   0  0  0  0  0
    1.0820    1.1904   -7.2783 N   0  0  0  0  0
    9.0311   -2.5049   -0.5227 H   0  0  0  0  0
    7.6871   -3.5598   -0.0665 H   0  0  0  0  0
    7.4293   -1.8184   -0.2268 H   0  0  0  0  0
    8.1869   -3.7761   -2.4622 H   0  0  0  0  0
    5.7887   -3.9707   -1.6933 H   0  0  0  0  0
    5.9939   -3.5192   -3.3814 H   0  0  0  0  0
    4.2395   -2.1633   -2.4341 H   0  0  0  0  0
    5.2451   -1.6285   -1.0885 H   0  0  0  0  0
    7.4880    0.2882   -3.4991 H   0  0  0  0  0
    7.3263   -0.0506   -1.7880 H   0  0  0  0  0
    7.9890   -2.0018   -4.0532 H   0  0  0  0  0
    9.1002   -1.4480   -2.8063 H   0  0  0  0  0
    4.2213    1.8657   -4.4107 H   0  0  0  0  0
    7.0365    2.4762   -3.6532 H   0  0  0  0  0
    6.0260    2.1780   -2.2484 H   0  0  0  0  0
    4.3087    3.8380   -3.2811 H   0  0  0  0  0
    5.5765    4.2849   -4.4187 H   0  0  0  0  0
    7.7365    5.3227   -3.5110 H   0  0  0  0  0
    8.2073    6.8603   -1.3177 H   0  0  0  0  0
    6.1113    6.4520    0.3536 H   0  0  0  0  0
    5.9980   -0.1582   -5.2968 H   0  0  0  0  0
    5.5556    3.3807   -8.7907 H   0  0  0  0  0
    3.5190    4.0608   -9.9834 H   0  0  0  0  0
    1.3087    3.1235   -9.3409 H   0  0  0  0  0
    3.4534   -0.2936   -5.6355 H   0  0  0  0  0
    0.7749   -0.3321   -5.8128 H   0  0  0  0  0
    0.1224    1.3614   -7.5473 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 20  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 12 49  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  2  0  0  0
 14 50  1  0  0  0
 15 16  1  0  0  0
 15 51  1  0  0  0
 16 17  2  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 18 19  3  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 21 24  1  0  0  0
 21 23  2  0  0  0
 21 22  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 32  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 32 59  1  0  0  0
M  END

>  <Chemical Name>
eut-22

>  <PubChem CID>
131801164

>  <Formula>
C23H27N5O3S

>  <Molecular Weight>
453.561000

>  <IUPAC Name>
N-[(2R)-4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)[C@@H](CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <InChI Std. ID>
InChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3/t21-/m1/s1

>  <InChI Key>
BRJXJOWXAFLRTE-OAQYLSRUSA-N

