
 CHEMBL3401727

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.2672   -0.6792    1.5480 C   0  0  0  0  0
    2.4092    0.3261    1.0235 O   0  0  0  0  0
    2.9849    1.3652    0.3458 C   0  0  0  0  0
    2.1545    2.4492    0.0143 C   0  0  0  0  0
    2.6428    3.5326   -0.7287 C   0  0  0  0  0
    3.9824    3.5614   -1.1057 C   0  0  0  0  0
    4.8328    2.5232   -0.7123 C   0  0  0  0  0
    4.3311    1.4053   -0.0352 C   0  0  0  0  0
    6.2818    2.5930   -1.0096 C   0  0  0  0  0
    6.7967    1.6899   -1.6663 O   0  0  0  0  0
    7.0365    3.6736   -0.6037 N   0  0  0  0  0
    6.6598    4.5846    0.3512 C   0  0  0  0  0
    5.5922    4.5624    1.1132 N   0  0  0  0  0
    5.6226    5.7159    1.8487 C   0  0  0  0  0
    4.7020    6.2030    2.7858 C   0  0  0  0  0
    4.9508    7.4447    3.3817 C   0  0  0  0  0
    6.0938    8.1791    3.0530 C   0  0  0  0  0
    7.0306    7.6998    2.1277 C   0  0  0  0  0
    6.7565    6.4595    1.5484 C   0  0  0  0  0
    7.4237    5.6924    0.6254 N   0  0  0  0  0
    0.4907    2.4672    0.6123 S   0  0  0  0  0
   -0.2994    1.5192   -0.1403 O   0  0  0  0  0
    0.4961    2.5314    2.0553 O   0  0  0  0  0
   -0.1163    3.9737    0.1423 N   0  0  0  0  0
    2.6508   -1.3753    2.1249 H   0  0  0  0  0
    4.0101   -0.2491    2.2278 H   0  0  0  0  0
    3.7461   -1.2471    0.7440 H   0  0  0  0  0
    2.0086    4.3743   -0.9907 H   0  0  0  0  0
    4.3720    4.4182   -1.6488 H   0  0  0  0  0
    5.0201    0.6011    0.2025 H   0  0  0  0  0
    7.9742    3.6951   -0.9778 H   0  0  0  0  0
    3.8162    5.6268    3.0305 H   0  0  0  0  0
    4.2425    7.8399    4.1064 H   0  0  0  0  0
    6.2591    9.1445    3.5280 H   0  0  0  0  0
    7.9162    8.2728    1.8768 H   0  0  0  0  0
    8.2928    5.9347    0.1768 H   0  0  0  0  0
   -0.3498    4.5015    0.9845 H   0  0  0  0  0
   -0.9132    3.8198   -0.4772 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  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 20 36  1  0  0  0
 21 24  1  0  0  0
 21 23  2  0  0  0
 21 22  2  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401727

>  <PubChem CID>
118728644

>  <Formula>
C15H14N4O4S

>  <Molecular Weight>
346.361000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)-3-methoxy-4-sulfamoylbenzamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)N

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)C(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)N

>  <InChI Std. ID>
InChI=1S/C15H14N4O4S/c1-23-12-8-9(6-7-13(12)24(16,21)22)14(20)19-15-17-10-4-2-3-5-11(10)18-15/h2-8H,1H3,(H2,16,21,22)(H2,17,18,19,20)

>  <InChI Key>
FDNXIIDDTFQYHM-UHFFFAOYSA-N

