
 AC1NZ11R

 51 52  0  0  0  0  0  0  0  0999 V2000
    5.1846    0.4203   -1.9224 C   0  0  0  0  0
    4.2559    1.5885   -1.6273 C   0  0  0  0  0
    4.1003    1.8868   -0.1651 N   0  0  0  0  0
    5.3832    1.9001    0.5970 C   0  0  0  0  0
    5.2465    2.0482    2.1020 C   0  0  0  0  0
    2.8827    3.0583    0.1573 S   0  0  0  0  0
    1.7309    2.7088   -0.6539 O   0  0  0  0  0
    2.7300    3.2623    1.5790 O   0  0  0  0  0
    3.5341    4.5805   -0.5139 C   0  0  0  0  0
    2.8553    5.2223   -1.5561 C   0  0  0  0  0
    3.3574    6.4140   -2.0809 C   0  0  0  0  0
    4.5369    6.9608   -1.5709 C   0  0  0  0  0
    5.2007    6.3337   -0.5063 C   0  0  0  0  0
    4.6892    5.1475    0.0290 C   0  0  0  0  0
    6.4662    6.8781    0.0646 C   0  0  0  0  0
    7.3117    6.0989    0.4901 O   0  0  0  0  0
    6.5352    8.2613    0.0770 N   0  0  0  0  0
    7.6481    8.9056    0.5218 N   0  0  0  0  0
    7.6278   10.2090    0.5804 C   0  0  0  0  0
    6.4085   11.0429    0.2313 C   0  0  0  0  0
    8.8529   10.9238    1.0524 C   0  0  0  0  0
    9.2637   12.1606    0.5329 C   0  0  0  0  0
   10.3876   12.8128    1.0505 C   0  0  0  0  0
   11.1140   12.2082    2.0725 C   0  0  0  0  0
   10.7460   10.9645    2.5718 C   0  0  0  0  0
    9.6177   10.3195    2.0611 C   0  0  0  0  0
   12.2126   12.8067    2.6149 O   0  0  0  0  0
    8.5893   12.7329   -0.5121 O   0  0  0  0  0
    5.1227    0.1499   -2.9816 H   0  0  0  0  0
    4.9240   -0.4606   -1.3277 H   0  0  0  0  0
    6.2289    0.6805   -1.7202 H   0  0  0  0  0
    3.2750    1.3254   -2.0385 H   0  0  0  0  0
    4.6205    2.4779   -2.1514 H   0  0  0  0  0
    6.0667    2.6476    0.1837 H   0  0  0  0  0
    5.8629    0.9249    0.4588 H   0  0  0  0  0
    4.9998    3.0700    2.3987 H   0  0  0  0  0
    6.2009    1.8117    2.5849 H   0  0  0  0  0
    4.4872    1.3715    2.5058 H   0  0  0  0  0
    1.9341    4.8069   -1.9610 H   0  0  0  0  0
    2.8329    6.9112   -2.8944 H   0  0  0  0  0
    4.9346    7.8627   -2.0298 H   0  0  0  0  0
    5.1978    4.6883    0.8699 H   0  0  0  0  0
    5.7273    8.8053   -0.1978 H   0  0  0  0  0
    6.2411   11.0037   -0.8491 H   0  0  0  0  0
    6.5065   12.0828    0.5479 H   0  0  0  0  0
    5.5298   10.6476    0.7502 H   0  0  0  0  0
   10.6949   13.7766    0.6602 H   0  0  0  0  0
   11.3326   10.4966    3.3581 H   0  0  0  0  0
    9.3345    9.3462    2.4582 H   0  0  0  0  0
   12.3569   13.6658    2.1863 H   0  0  0  0  0
    9.0587   13.5329   -0.8019 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
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  9  1  0  0  0
  6  8  2  0  0  0
  6  7  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 42  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 20 46  1  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 47  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
 27 50  1  0  0  0
 28 51  1  0  0  0
M  END

>  <Chemical Name>
AC1NZ11R

>  <PubChem CID>
135520033

>  <Formula>
C19H23N3O5S

>  <Molecular Weight>
405.469000

>  <IUPAC Name>
3-(diethylsulfamoyl)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN=C(C)C2=C(C=C(C=C2)O)O

>  <Isomeric SMILES>
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N/N=C(\C)/C2=C(C=C(C=C2)O)O

>  <InChI Std. ID>
InChI=1S/C19H23N3O5S/c1-4-22(5-2)28(26,27)16-8-6-7-14(11-16)19(25)21-20-13(3)17-10-9-15(23)12-18(17)24/h6-12,23-24H,4-5H2,1-3H3,(H,21,25)/b20-13+

>  <InChI Key>
BTSAYBKBDLQAJE-DEDYPNTBSA-N

