
 SMR000124404

 56 59  0  0  0  0  0  0  0  0999 V2000
   12.3671    0.8942   -0.1532 C   0  0  0  0  0
   10.9998    0.6594   -0.6583 C   0  0  0  0  0
   10.2148    1.2933   -1.5951 C   0  0  0  0  0
    8.9860    0.5903   -1.6213 C   0  0  0  0  0
    9.0891   -0.4380   -0.7016 C   0  0  0  0  0
   10.3268   -0.3939   -0.1164 O   0  0  0  0  0
    8.0319   -1.4450   -0.3905 C   0  0  0  0  0
    6.8229   -1.4356   -0.9747 N   0  0  0  0  0
    6.1799   -2.5382   -0.4162 O   0  0  0  0  0
    7.0669   -3.1055    0.4491 C   0  0  0  0  0
    8.2170   -2.4742    0.5059 N   0  0  0  0  0
    6.6372   -4.3590    1.1243 C   0  0  0  0  0
    6.6846   -4.2179    2.6515 C   0  0  0  0  0
    6.3530   -5.5482    3.3291 C   0  0  0  0  0
    7.2643   -6.6742    2.8377 C   0  0  0  0  0
    7.1487   -6.7748    1.3639 N   0  0  0  0  0
    7.5348   -5.5135    0.6695 C   0  0  0  0  0
    7.7003   -8.2193    0.6412 S   0  0  0  0  0
    7.3772   -9.3264    1.5149 O   0  0  0  0  0
    7.2739   -8.2096   -0.7425 O   0  0  0  0  0
    9.4730   -8.0243    0.6430 C   0  0  0  0  0
   10.2363   -8.5101    1.7107 C   0  0  0  0  0
   11.6244   -8.3464    1.6927 C   0  0  0  0  0
   12.2275   -7.7076    0.6031 C   0  0  0  0  0
   11.4662   -7.2418   -0.4738 C   0  0  0  0  0
   10.0854   -7.4157   -0.4610 C   0  0  0  0  0
   13.9894   -7.4790    0.5473 S   0  0  0  0  0
   14.2193   -6.0584    0.3927 O   0  0  0  0  0
   14.5856   -8.2293    1.6315 O   0  0  0  0  0
   14.4082   -8.2623   -0.9149 N   0  0  0  0  0
   15.7125   -7.8328   -1.4622 C   0  0  0  0  0
   14.2745   -9.7357   -0.8970 C   0  0  0  0  0
   12.8128    1.7758   -0.6250 H   0  0  0  0  0
   13.0083    0.0335   -0.3655 H   0  0  0  0  0
   12.3532    1.0590    0.9284 H   0  0  0  0  0
   10.4927    2.1561   -2.1846 H   0  0  0  0  0
    8.1240    0.8020   -2.2395 H   0  0  0  0  0
    5.6029   -4.5885    0.8344 H   0  0  0  0  0
    5.9757   -3.4491    2.9825 H   0  0  0  0  0
    7.6800   -3.8877    2.9767 H   0  0  0  0  0
    6.4454   -5.4439    4.4158 H   0  0  0  0  0
    5.3069   -5.8061    3.1184 H   0  0  0  0  0
    8.3025   -6.4817    3.1274 H   0  0  0  0  0
    6.9375   -7.6051    3.3118 H   0  0  0  0  0
    8.5859   -5.2865    0.8903 H   0  0  0  0  0
    7.4379   -5.6354   -0.4153 H   0  0  0  0  0
    9.7612   -9.0130    2.5507 H   0  0  0  0  0
   12.2246   -8.7156    2.5221 H   0  0  0  0  0
   11.9469   -6.7508   -1.3181 H   0  0  0  0  0
    9.4945   -7.0672   -1.3060 H   0  0  0  0  0
   15.6947   -6.7629   -1.6900 H   0  0  0  0  0
   15.9147   -8.3559   -2.4027 H   0  0  0  0  0
   16.5241   -8.0492   -0.7616 H   0  0  0  0  0
   13.3067  -10.0427   -0.4924 H   0  0  0  0  0
   15.0755  -10.1952   -0.3101 H   0  0  0  0  0
   14.3275  -10.1188   -1.9213 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
 27 30  1  0  0  0
 27 29  2  0  0  0
 27 28  2  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 31 51  1  0  0  0
 31 52  1  0  0  0
 31 53  1  0  0  0
 32 54  1  0  0  0
 32 55  1  0  0  0
 32 56  1  0  0  0
M  END

>  <Chemical Name>
SMR000124404

>  <PubChem CID>
3226283

>  <Formula>
C20H24N4O6S2

>  <Molecular Weight>
480.554000

>  <IUPAC Name>
N,N-dimethyl-4-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylbenzenesulfonamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C

>  <Isomeric SMILES>
CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C20H24N4O6S2/c1-14-6-11-18(29-14)19-21-20(30-22-19)15-5-4-12-24(13-15)32(27,28)17-9-7-16(8-10-17)31(25,26)23(2)3/h6-11,15H,4-5,12-13H2,1-3H3

>  <InChI Key>
ADOYZNXTCFFSDX-UHFFFAOYSA-N

