
 SCHEMBL1875982

 60 63  0  0  0  0  0  0  0  0999 V2000
    6.7945   -4.7545   -0.5708 C   0  0  0  0  0
    6.0362   -3.8556    0.4008 C   0  0  0  0  0
    5.1724   -4.6917    1.3399 C   0  0  0  0  0
    6.9665   -3.1304    1.2153 O   0  0  0  0  0
    7.5337   -1.9801    0.7361 C   0  0  0  0  0
    8.6807   -1.5131    1.4029 C   0  0  0  0  0
    9.3169   -0.3304    0.9823 C   0  0  0  0  0
    8.8014    0.4123   -0.0858 C   0  0  0  0  0
    7.6542   -0.0566   -0.7353 C   0  0  0  0  0
    7.0302   -1.2397   -0.3343 C   0  0  0  0  0
    9.4444    1.6366   -0.5320 C   0  0  0  0  0
   10.7065    1.9953   -0.5202 N   0  0  0  0  0
   10.6674    3.2331   -1.1324 C   0  0  0  0  0
    9.4332    3.6338   -1.4758 N   0  0  0  0  0
    8.6230    2.5786   -1.0805 O   0  0  0  0  0
   11.8720    4.0021   -1.4024 C   0  0  0  0  0
   11.8903    5.3988   -1.4195 C   0  0  0  0  0
   10.7436    6.3483   -1.2610 C   0  0  0  0  0
   11.4319    7.6975   -1.0403 C   0  0  0  0  0
   12.8966    7.5872   -1.5210 C   0  0  0  0  0
   13.0791    6.1000   -1.6530 C   0  0  0  0  0
   14.2546    5.4229   -1.9522 C   0  0  0  0  0
   14.2516    4.0300   -1.9518 C   0  0  0  0  0
   13.0768    3.3264   -1.6585 C   0  0  0  0  0
   13.7422    8.1568   -0.4492 N   0  0  0  0  0
   15.1404    8.9620   -0.9222 S   0  0  0  0  0
   16.1504    7.9502   -1.1340 O   0  0  0  0  0
   14.7910    9.9168   -1.9484 O   0  0  0  0  0
   15.5252    9.8384    0.5746 C   0  0  0  0  0
   16.9162   10.4264    0.4928 C   0  0  0  0  0
   17.2084   11.0547    1.7437 O   0  0  0  0  0
   18.5375   11.5600    1.7755 C   0  0  0  0  0
    9.2310   -2.2319    2.5190 C   0  0  0  0  0
    9.7048   -2.7814    3.4239 N   0  0  0  0  0
    7.4151   -4.1619   -1.2511 H   0  0  0  0  0
    6.1069   -5.3575   -1.1718 H   0  0  0  0  0
    7.4725   -5.4269   -0.0333 H   0  0  0  0  0
    5.3509   -3.1959   -0.1377 H   0  0  0  0  0
    5.7823   -5.3777    1.9367 H   0  0  0  0  0
    4.4303   -5.2711    0.7817 H   0  0  0  0  0
    4.6439   -4.0406    2.0451 H   0  0  0  0  0
   10.2116    0.0172    1.5005 H   0  0  0  0  0
    7.2333    0.4925   -1.5773 H   0  0  0  0  0
    6.1447   -1.5354   -0.8844 H   0  0  0  0  0
   10.1097    6.1001   -0.4044 H   0  0  0  0  0
   10.1415    6.3678   -2.1757 H   0  0  0  0  0
   11.3801    7.9502    0.0280 H   0  0  0  0  0
   10.9006    8.5020   -1.5627 H   0  0  0  0  0
   13.0130    8.0908   -2.4854 H   0  0  0  0  0
   15.1717    5.9572   -2.1817 H   0  0  0  0  0
   15.1675    3.4878   -2.1757 H   0  0  0  0  0
   13.1050    2.2378   -1.6546 H   0  0  0  0  0
   13.9553    7.4414    0.2501 H   0  0  0  0  0
   15.4656    9.1313    1.4088 H   0  0  0  0  0
   14.7704   10.6152    0.7299 H   0  0  0  0  0
   16.9793   11.1653   -0.3140 H   0  0  0  0  0
   17.6557    9.6393    0.3042 H   0  0  0  0  0
   18.7064   12.0211    2.7521 H   0  0  0  0  0
   18.6763   12.3177    0.9989 H   0  0  0  0  0
   19.2587   10.7473    1.6441 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 44  1  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 14 15  1  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 25  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 52  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 29  1  0  0  0
 26 28  2  0  0  0
 26 27  2  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 34  3  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1875982

>  <PubChem CID>
67196597

>  <Formula>
C24H26N4O5S

>  <Molecular Weight>
482.555000

>  <IUPAC Name>
N-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methoxyethanesulfonamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NS(=O)(=O)CCOC)C#N

>  <Isomeric SMILES>
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H](C4=CC=C3)NS(=O)(=O)CCOC)C#N

>  <InChI Std. ID>
InChI=1S/C24H26N4O5S/c1-15(2)32-22-10-7-16(13-17(22)14-25)24-26-23(27-33-24)20-6-4-5-19-18(20)8-9-21(19)28-34(29,30)12-11-31-3/h4-7,10,13,15,21,28H,8-9,11-12H2,1-3H3/t21-/m1/s1

>  <InChI Key>
CCEAKDWEXPIAPE-OAQYLSRUSA-N

