
 CHEMBL3310833

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.5642    1.2524   -2.1798 C   0  0  0  0  0
    2.6471    0.9050   -1.3229 O   0  0  0  0  0
    3.2773    1.9343   -0.6635 C   0  0  0  0  0
    4.4114    1.5463    0.1057 C   0  0  0  0  0
    5.1667    2.4774    0.8220 C   0  0  0  0  0
    4.7572    3.7863    0.7441 C   0  0  0  0  0
    3.6535    4.1879   -0.0088 C   0  0  0  0  0
    2.8924    3.2793   -0.7196 C   0  0  0  0  0
    3.5422    5.5869    0.1033 N   0  0  0  0  0
    4.6047    6.0468    0.9242 C   0  0  0  0  0
    4.8738    7.1933    1.2323 O   0  0  0  0  0
    5.3255    4.9116    1.3210 N   0  0  0  0  0
    2.5641    6.4091   -0.6119 C   0  0  0  0  0
    1.9858    7.6373    0.1050 C   0  0  0  0  0
    2.1913    8.4471   -1.0896 O   0  0  0  0  0
    3.1336    7.4525   -1.5830 C   0  0  0  0  0
    4.8330    0.1787    0.0842 N   0  0  0  0  0
    6.1403   -0.2265   -0.9235 S   0  0  0  0  0
    7.2661    0.6332   -0.6415 O   0  0  0  0  0
    6.2846   -1.6643   -0.7993 O   0  0  0  0  0
    5.5243    0.0781   -2.5696 C   0  0  0  0  0
    5.6588    1.3012   -3.2412 C   0  0  0  0  0
    5.1197    1.4144   -4.5390 C   0  0  0  0  0
    4.4891    0.3283   -5.1580 C   0  0  0  0  0
    4.3819   -0.8872   -4.4947 C   0  0  0  0  0
    4.8970   -1.0126   -3.2078 C   0  0  0  0  0
    5.1749    2.8890   -5.4497 Cl  0  0  0  0  0
    6.4195    2.6906   -2.5408 Cl  0  0  0  0  0
    1.2243    0.3373   -2.6738 H   0  0  0  0  0
    1.8832    1.9512   -2.9600 H   0  0  0  0  0
    0.7249    1.6549   -1.6037 H   0  0  0  0  0
    6.0418    2.1824    1.3898 H   0  0  0  0  0
    2.0426    3.6130   -1.2979 H   0  0  0  0  0
    6.1548    4.9509    1.8936 H   0  0  0  0  0
    1.7657    5.8148   -1.0714 H   0  0  0  0  0
    2.5340    8.0495    0.9554 H   0  0  0  0  0
    0.9251    7.5611    0.3617 H   0  0  0  0  0
    2.9754    7.2323   -2.6426 H   0  0  0  0  0
    4.1666    7.7767   -1.4247 H   0  0  0  0  0
    4.0631   -0.4767   -0.0661 H   0  0  0  0  0
    4.0841    0.4267   -6.1634 H   0  0  0  0  0
    3.9024   -1.7357   -4.9784 H   0  0  0  0  0
    4.8054   -1.9755   -2.7048 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  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 17  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 34  1  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  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 28  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3310833

>  <PubChem CID>
118706824

>  <Formula>
C17H15Cl2N3O5S

>  <Molecular Weight>
444.283000

>  <IUPAC Name>
2,3-dichloro-N-[6-methoxy-1-(oxetan-3-yl)-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)N(C(=O)N2)C3COC3)NS(=O)(=O)C4=C(C(=CC=C4)Cl)Cl

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)N(C(=O)N2)C3COC3)NS(=O)(=O)C4=C(C(=CC=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C17H15Cl2N3O5S/c1-26-14-6-13-11(20-17(23)22(13)9-7-27-8-9)5-12(14)21-28(24,25)15-4-2-3-10(18)16(15)19/h2-6,9,21H,7-8H2,1H3,(H,20,23)

>  <InChI Key>
CXYNNGVMXXERRL-UHFFFAOYSA-N

