
 CHEMBL347958

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.5902    0.8868   -2.6498 C   0  0  0  0  0
    3.3275    0.6745   -1.2100 C   0  0  0  0  0
    3.1834    1.6222   -0.2199 C   0  0  0  0  0
    2.8958    1.0104    0.9589 O   0  0  0  0  0
    2.8119   -0.3562    0.7627 N   0  0  0  0  0
    3.0246   -0.5459   -0.5441 C   0  0  0  0  0
    2.8756   -1.8974   -1.1328 C   0  0  0  0  0
    3.2308    3.0378   -0.4230 N   0  0  0  0  0
    1.6366    3.6340   -0.3601 S   0  0  0  0  0
    1.0120    3.2859   -1.6240 O   0  0  0  0  0
    1.0102    3.2446    0.8769 O   0  0  0  0  0
    1.9039    5.3939   -0.2960 C   0  0  0  0  0
    1.8789    5.9377    1.0116 C   0  0  0  0  0
    2.0573    7.2998    1.2316 C   0  0  0  0  0
    2.2508    8.1399    0.1508 C   0  0  0  0  0
    2.2587    7.6124   -1.1429 C   0  0  0  0  0
    2.0945    6.2286   -1.4161 C   0  0  0  0  0
    2.2170    5.8479   -2.8524 C   0  0  0  0  0
    3.4423    6.1425   -3.5006 C   0  0  0  0  0
    3.5847    6.0649   -4.8877 C   0  0  0  0  0
    2.5067    5.6756   -5.6693 C   0  0  0  0  0
    1.2972    5.3556   -5.0594 C   0  0  0  0  0
    1.1438    5.4016   -3.6612 C   0  0  0  0  0
   -0.1576    5.2002   -3.1462 N   0  0  0  0  0
    3.9682   -0.0223   -3.1254 H   0  0  0  0  0
    4.3371    1.6731   -2.7993 H   0  0  0  0  0
    2.6695    1.1867   -3.1603 H   0  0  0  0  0
    2.0402   -1.9044   -1.8414 H   0  0  0  0  0
    2.6719   -2.6541   -0.3683 H   0  0  0  0  0
    3.7839   -2.1884   -1.6681 H   0  0  0  0  0
    3.6078    3.2704   -1.3337 H   0  0  0  0  0
    1.7222    5.2966    1.8798 H   0  0  0  0  0
    2.0390    7.6960    2.2425 H   0  0  0  0  0
    2.3870    9.2082    0.3033 H   0  0  0  0  0
    2.4019    8.3104   -1.9722 H   0  0  0  0  0
    4.2842    6.5202   -2.9216 H   0  0  0  0  0
    4.5200    6.3550   -5.3583 H   0  0  0  0  0
    2.5936    5.6481   -6.7526 H   0  0  0  0  0
    0.4540    5.0790   -5.6880 H   0  0  0  0  0
   -0.1003    4.6946   -2.2610 H   0  0  0  0  0
   -0.7318    4.6443   -3.7743 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 20 21  2  0  0  0
 20 37  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL347958

>  <PubChem CID>
10521320

>  <Formula>
C17H17N3O3S

>  <Molecular Weight>
343.401000

>  <IUPAC Name>
2-(2-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3N

>  <Isomeric SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3N

>  <InChI Std. ID>
InChI=1S/C17H17N3O3S/c1-11-12(2)19-23-17(11)20-24(21,22)16-10-6-4-8-14(16)13-7-3-5-9-15(13)18/h3-10,20H,18H2,1-2H3

>  <InChI Key>
GDARDKVQKGHHRI-UHFFFAOYSA-N

