
 ethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylate

 67 69  0  0  0  0  0  0  0  0999 V2000
    1.3838   10.0536    1.9135 C   0  0  0  0  0
    1.9969    9.7233    0.5647 C   0  0  0  0  0
    2.6822    8.4656    0.6689 O   0  0  0  0  0
    3.9908    8.5275    1.0672 C   0  0  0  0  0
    4.6256    9.5767    1.1339 O   0  0  0  0  0
    4.4584    7.2066    1.4549 C   0  0  0  0  0
    3.8064    5.9774    1.4612 C   0  0  0  0  0
    4.6355    4.9589    2.0295 C   0  0  0  0  0
    5.8804    5.4158    2.4314 C   0  0  0  0  0
    6.0452    7.0831    2.0819 S   0  0  0  0  0
    6.9666    4.6928    3.1175 C   0  0  0  0  0
    8.3205    4.9804    2.8752 C   0  0  0  0  0
    9.3345    4.3114    3.5673 C   0  0  0  0  0
    9.0111    3.3378    4.5079 C   0  0  0  0  0
    7.6755    3.0292    4.7524 C   0  0  0  0  0
    6.6615    3.7005    4.0614 C   0  0  0  0  0
    2.5025    5.8444    0.9852 N   0  0  0  0  0
    1.7051    4.7180    1.0177 C   0  0  0  0  0
    2.0538    3.6131    1.4192 O   0  0  0  0  0
    0.2910    4.9025    0.5172 C   0  0  0  0  0
   -0.5156    3.7634    0.3666 C   0  0  0  0  0
   -1.8469    3.8740   -0.0625 C   0  0  0  0  0
   -2.3927    5.1323   -0.3392 C   0  0  0  0  0
   -1.6128    6.2738   -0.1627 C   0  0  0  0  0
   -0.2779    6.1587    0.2459 C   0  0  0  0  0
   -4.1318    5.2826   -0.7220 S   0  0  0  0  0
   -4.6701    3.9372   -0.7253 O   0  0  0  0  0
   -4.6693    6.2987    0.1581 O   0  0  0  0  0
   -4.1782    5.8772   -2.3303 N   0  0  0  0  0
   -5.1880    5.1971   -3.2156 C   0  0  0  0  0
   -6.6458    5.3861   -2.7682 C   0  0  0  0  0
   -7.0405    6.7549   -2.9102 O   0  0  0  0  0
   -8.3245    6.9875   -2.3424 C   0  0  0  0  0
   -4.1482    7.3753   -2.4540 C   0  0  0  0  0
   -3.9856    7.9041   -3.8879 C   0  0  0  0  0
   -2.8383    7.3907   -4.5704 O   0  0  0  0  0
   -1.6095    7.9084   -4.0833 C   0  0  0  0  0
    0.7947   10.9724    1.8635 H   0  0  0  0  0
    2.1612   10.1732    2.6754 H   0  0  0  0  0
    0.7376    9.2354    2.2496 H   0  0  0  0  0
    2.6542   10.5249    0.2087 H   0  0  0  0  0
    1.2047    9.5970   -0.1802 H   0  0  0  0  0
    4.3311    3.9259    2.1542 H   0  0  0  0  0
    8.6086    5.7315    2.1428 H   0  0  0  0  0
   10.3758    4.5559    3.3718 H   0  0  0  0  0
    9.7989    2.8212    5.0497 H   0  0  0  0  0
    7.4191    2.2705    5.4869 H   0  0  0  0  0
    5.6268    3.4511    4.2856 H   0  0  0  0  0
    2.1291    6.6995    0.5982 H   0  0  0  0  0
   -0.1181    2.7775    0.6063 H   0  0  0  0  0
   -2.4545    2.9732   -0.1377 H   0  0  0  0  0
   -2.0348    7.2635   -0.2984 H   0  0  0  0  0
    0.2661    7.0856    0.3805 H   0  0  0  0  0
   -4.9478    4.1277   -3.2483 H   0  0  0  0  0
   -5.0661    5.5471   -4.2446 H   0  0  0  0  0
   -6.7889    5.0655   -1.7321 H   0  0  0  0  0
   -7.2952    4.7764   -3.4071 H   0  0  0  0  0
   -8.5389    8.0578   -2.4037 H   0  0  0  0  0
   -8.3427    6.6916   -1.2884 H   0  0  0  0  0
   -9.0902    6.4419   -2.9014 H   0  0  0  0  0
   -3.3069    7.7552   -1.8742 H   0  0  0  0  0
   -5.0512    7.8083   -2.0135 H   0  0  0  0  0
   -3.9371    9.0002   -3.8744 H   0  0  0  0  0
   -4.8606    7.6538   -4.4950 H   0  0  0  0  0
   -0.8120    7.5937   -4.7617 H   0  0  0  0  0
   -1.3885    7.5087   -3.0906 H   0  0  0  0  0
   -1.6279    9.0024   -4.0548 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  2 42  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  2  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 14  2  0  0  0
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 36 37  1  0  0  0
 37 65  1  0  0  0
 37 66  1  0  0  0
 37 67  1  0  0  0
M  END

>  <Chemical Name>
ethyl 3-(4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzamido)-5-phenylthiophene-2-carboxylate

>  <PubChem CID>
4048244

>  <Formula>
C26H30N2O7S2

>  <Molecular Weight>
546.653000

>  <IUPAC Name>
ethyl 3-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-5-phenylthiophene-2-carboxylate

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCOC)CCOC

>  <Isomeric SMILES>
CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCOC)CCOC

>  <InChI Std. ID>
InChI=1S/C26H30N2O7S2/c1-4-35-26(30)24-22(18-23(36-24)19-8-6-5-7-9-19)27-25(29)20-10-12-21(13-11-20)37(31,32)28(14-16-33-2)15-17-34-3/h5-13,18H,4,14-17H2,1-3H3,(H,27,29)

>  <InChI Key>
ACUNJYOSWNSRDF-UHFFFAOYSA-N

