
 BAS 09669177

 42 45  0  0  0  0  0  0  0  0999 V2000
    7.3881   -0.7504    2.1705 C   0  0  0  0  0
    7.1805   -0.4933    0.7854 O   0  0  0  0  0
    6.7159    0.7606    0.4673 C   0  0  0  0  0
    5.9354    0.8655   -0.7120 C   0  0  0  0  0
    5.5878   -0.2392   -1.5142 C   0  0  0  0  0
    4.7838   -0.0767   -2.6363 C   0  0  0  0  0
    4.3553    1.1972   -2.9448 C   0  0  0  0  0
    4.6658    2.2881   -2.2135 N   0  0  0  0  0
    5.4311    2.1199   -1.1093 C   0  0  0  0  0
    5.6980    3.2279   -0.2987 C   0  0  0  0  0
    6.4802    3.1335    0.8512 C   0  0  0  0  0
    7.0034    1.8993    1.2261 C   0  0  0  0  0
    5.0097    4.4569   -0.6022 N   0  0  0  0  0
    3.6479    4.8063    0.3587 S   0  0  0  0  0
    4.1048    5.1367    1.6932 O   0  0  0  0  0
    2.8313    5.7299   -0.4002 O   0  0  0  0  0
    2.7659    3.2609    0.4599 C   0  0  0  0  0
    1.8988    2.8869   -0.5712 C   0  0  0  0  0
    1.2673    1.6331   -0.5357 C   0  0  0  0  0
    0.4194    1.2117   -1.5725 C   0  0  0  0  0
   -0.1882   -0.0447   -1.5319 C   0  0  0  0  0
    0.0440   -0.8965   -0.4559 C   0  0  0  0  0
    0.8818   -0.4933    0.5845 C   0  0  0  0  0
    1.4989    0.7671    0.5609 C   0  0  0  0  0
    2.3409    1.1815    1.6049 C   0  0  0  0  0
    2.9658    2.4272    1.5626 C   0  0  0  0  0
    7.5203   -1.8300    2.2915 H   0  0  0  0  0
    6.5204   -0.4514    2.7684 H   0  0  0  0  0
    8.3006   -0.2626    2.5266 H   0  0  0  0  0
    5.9307   -1.2372   -1.2509 H   0  0  0  0  0
    4.4959   -0.9240   -3.2477 H   0  0  0  0  0
    3.7236    1.3814   -3.8091 H   0  0  0  0  0
    6.6678    4.0145    1.4605 H   0  0  0  0  0
    7.6250    1.8525    2.1147 H   0  0  0  0  0
    4.7272    4.4875   -1.5884 H   0  0  0  0  0
    1.7460    3.5531   -1.4177 H   0  0  0  0  0
    0.2253    1.8619   -2.4228 H   0  0  0  0  0
   -0.8449   -0.3568   -2.3398 H   0  0  0  0  0
   -0.4295   -1.8744   -0.4230 H   0  0  0  0  0
    1.0496   -1.1730    1.4170 H   0  0  0  0  0
    2.5232    0.5300    2.4570 H   0  0  0  0  0
    3.6252    2.7255    2.3745 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 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 17 26  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 41  1  0  0  0
 26 42  1  0  0  0
M  END

>  <Chemical Name>
BAS 09669177

>  <PubChem CID>
1096078

>  <Formula>
C20H16N2O3S

>  <Molecular Weight>
364.419000

>  <IUPAC Name>
N-(5-methoxyquinolin-8-yl)naphthalene-2-sulfonamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C2C=CC=NC2=C(C=C1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
COC1=C2C=CC=NC2=C(C=C1)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C20H16N2O3S/c1-25-19-11-10-18(20-17(19)7-4-12-21-20)22-26(23,24)16-9-8-14-5-2-3-6-15(14)13-16/h2-13,22H,1H3

>  <InChI Key>
DDQDAAIGJSRNPU-UHFFFAOYSA-N

