
 AC1NLP7L

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.8304    0.9736   -0.0594 C   0  0  0  0  0
    2.2847    0.8888   -0.0082 N   0  0  0  0  0
    2.9117   -0.3846    0.0393 C   0  0  0  0  0
    4.3016   -0.4614    0.1161 C   0  0  0  0  0
    4.9612   -1.6975    0.1708 C   0  0  0  0  0
    4.2177   -2.8757    0.1050 C   0  0  0  0  0
    2.8274   -2.8281    0.0392 C   0  0  0  0  0
    2.1804   -1.5859    0.0134 C   0  0  0  0  0
    5.0772   -4.4324    0.0921 S   0  0  0  0  0
    6.0617   -4.3687    1.1495 O   0  0  0  0  0
    4.0911   -5.4904    0.0364 O   0  0  0  0  0
    5.9239   -4.3824   -1.3701 N   0  0  0  0  0
    5.1873   -4.3273   -2.5851 C   0  0  0  0  0
    4.9058   -3.1013   -3.1863 C   0  0  0  0  0
    4.1580   -3.0676   -4.3628 C   0  0  0  0  0
    3.6947   -4.2555   -4.9371 C   0  0  0  0  0
    3.9903   -5.4795   -4.3408 C   0  0  0  0  0
    4.7221   -5.5139   -3.1520 C   0  0  0  0  0
    2.9531   -4.2939   -6.0886 O   0  0  0  0  0
    2.4060   -3.0090   -6.4032 C   0  0  0  0  0
    3.4538   -1.9186   -6.2480 C   0  0  0  0  0
    3.9048   -1.8279   -4.8916 O   0  0  0  0  0
    5.0952    0.7756    0.1103 C   0  0  0  0  0
    6.3200    0.6930    0.1779 O   0  0  0  0  0
    4.3956    1.9664    0.0137 N   0  0  0  0  0
    3.0102    2.0782   -0.0021 C   0  0  0  0  0
    2.4558    3.1799   -0.0112 O   0  0  0  0  0
    5.1596    3.2011    0.0048 C   0  0  0  0  0
    0.4756    2.0072   -0.1002 H   0  0  0  0  0
    0.4083    0.5108    0.8383 H   0  0  0  0  0
    0.4684    0.4644   -0.9584 H   0  0  0  0  0
    6.0468   -1.7345    0.2454 H   0  0  0  0  0
    2.2394   -3.7438    0.0019 H   0  0  0  0  0
    1.0948   -1.5914   -0.0375 H   0  0  0  0  0
    6.7752   -3.8256   -1.3103 H   0  0  0  0  0
    5.2618   -2.1691   -2.7610 H   0  0  0  0  0
    3.6405   -6.4044   -4.7914 H   0  0  0  0  0
    4.9369   -6.4695   -2.6790 H   0  0  0  0  0
    2.0506   -3.0446   -7.4379 H   0  0  0  0  0
    1.5418   -2.8314   -5.7514 H   0  0  0  0  0
    3.0284   -0.9474   -6.5203 H   0  0  0  0  0
    4.3236   -2.1028   -6.8901 H   0  0  0  0  0
    4.7080    3.9243   -0.6817 H   0  0  0  0  0
    6.1974    3.0357   -0.2978 H   0  0  0  0  0
    5.1460    3.6208    1.0157 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 26  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 22  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 28 43  1  0  0  0
 28 44  1  0  0  0
 28 45  1  0  0  0
M  END

>  <Chemical Name>
AC1NLP7L

>  <PubChem CID>
4986865

>  <Formula>
C18H17N3O6S

>  <Molecular Weight>
403.409000

>  <IUPAC Name>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)N(C1=O)C

>  <Isomeric SMILES>
CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4)C(=O)N(C1=O)C

>  <InChI Std. ID>
InChI=1S/C18H17N3O6S/c1-20-14-5-4-12(10-13(14)17(22)21(2)18(20)23)28(24,25)19-11-3-6-15-16(9-11)27-8-7-26-15/h3-6,9-10,19H,7-8H2,1-2H3

>  <InChI Key>
LVYQOMVZNQFSCQ-UHFFFAOYSA-N

