
 methyl 2-[4-[[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate

 61 63  0  0  0  0  0  0  0  0999 V2000
    6.1349   -3.6301   -1.6484 C   0  0  0  0  0
    5.8527   -2.2731   -1.3304 O   0  0  0  0  0
    6.2946   -1.7988   -0.1219 C   0  0  0  0  0
    7.1092   -2.5257    0.7557 C   0  0  0  0  0
    7.4857   -1.9865    1.9895 C   0  0  0  0  0
    7.0631   -0.7127    2.3550 C   0  0  0  0  0
    6.2635    0.0255    1.4856 C   0  0  0  0  0
    5.8797   -0.5023    0.2463 C   0  0  0  0  0
    4.9548    0.2894   -0.5299 N   0  0  0  0  0
    5.3261    0.6505   -1.9186 C   0  0  0  0  0
    6.1491    1.9363   -1.9213 C   0  0  0  0  0
    7.3529    1.9498   -1.6437 O   0  0  0  0  0
    5.5223    3.1181   -2.2488 N   0  0  0  0  0
    4.1843    3.2030   -2.4514 N   0  0  0  0  0
    3.7025    4.4004   -2.5741 C   0  0  0  0  0
    2.2473    4.6396   -2.6905 C   0  0  0  0  0
    1.7609    5.9449   -2.7641 C   0  0  0  0  0
    0.3779    6.1664   -2.7716 C   0  0  0  0  0
   -0.5227    5.0972   -2.6968 C   0  0  0  0  0
   -0.0266    3.7952   -2.6527 C   0  0  0  0  0
    1.3523    3.5698   -2.6583 C   0  0  0  0  0
   -1.8432    5.4556   -2.6666 O   0  0  0  0  0
   -2.8022    4.4217   -2.4841 C   0  0  0  0  0
   -2.8886    3.8343   -1.0761 C   0  0  0  0  0
   -2.4863    4.3680   -0.0518 O   0  0  0  0  0
   -3.5040    2.6144   -1.1302 O   0  0  0  0  0
   -3.5810    1.9475    0.1315 C   0  0  0  0  0
    3.3108    0.0835   -0.1637 S   0  0  0  0  0
    3.1467    0.0115    1.2754 O   0  0  0  0  0
    2.5288    1.0425   -0.9172 O   0  0  0  0  0
    2.8748   -1.5189   -0.8122 C   0  0  0  0  0
    2.3958   -1.6310   -2.1222 C   0  0  0  0  0
    1.9518   -2.8691   -2.5887 C   0  0  0  0  0
    1.9761   -3.9831   -1.7472 C   0  0  0  0  0
    2.4395   -3.8643   -0.4360 C   0  0  0  0  0
    2.8802   -2.6292    0.0388 C   0  0  0  0  0
    5.6012   -3.8747   -2.5716 H   0  0  0  0  0
    5.7747   -4.3113   -0.8701 H   0  0  0  0  0
    7.2049   -3.7701   -1.8325 H   0  0  0  0  0
    7.4642   -3.5221    0.5153 H   0  0  0  0  0
    8.1058   -2.5661    2.6692 H   0  0  0  0  0
    7.3446   -0.2955    3.3182 H   0  0  0  0  0
    5.9189    1.0133    1.7830 H   0  0  0  0  0
    4.4513    0.7572   -2.5645 H   0  0  0  0  0
    5.9415   -0.1162   -2.3989 H   0  0  0  0  0
    6.0881    3.9575   -2.1860 H   0  0  0  0  0
    4.3532    5.2933   -2.5640 H   0  0  0  0  0
    2.4354    6.7957   -2.7918 H   0  0  0  0  0
   -0.0034    7.1845   -2.8100 H   0  0  0  0  0
   -0.6679    2.9232   -2.5906 H   0  0  0  0  0
    1.7182    2.5488   -2.6041 H   0  0  0  0  0
   -2.6595    3.6283   -3.2274 H   0  0  0  0  0
   -3.7833    4.8656   -2.6887 H   0  0  0  0  0
   -4.0744    0.9840   -0.0248 H   0  0  0  0  0
   -4.1770    2.5312    0.8397 H   0  0  0  0  0
   -2.5777    1.7608    0.5273 H   0  0  0  0  0
    2.3452   -0.7613   -2.7728 H   0  0  0  0  0
    1.5696   -2.9633   -3.6023 H   0  0  0  0  0
    1.6178   -4.9437   -2.1094 H   0  0  0  0  0
    2.4434   -4.7298    0.2216 H   0  0  0  0  0
    3.2213   -2.5355    1.0676 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  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 40  1  0  0  0
  5  6  2  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  9 28  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 28 31  1  0  0  0
 28 30  2  0  0  0
 28 29  2  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 57  1  0  0  0
 33 34  2  0  0  0
 33 58  1  0  0  0
 34 35  1  0  0  0
 34 59  1  0  0  0
 35 36  2  0  0  0
 35 60  1  0  0  0
 36 61  1  0  0  0
M  END

>  <Chemical Name>
methyl 2-[4-[[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate

>  <PubChem CID>
2849824

>  <Formula>
C25H25N3O7S

>  <Molecular Weight>
511.549000

>  <IUPAC Name>
methyl 2-[4-[[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)OC)S(=O)(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N(CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)OC)S(=O)(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H25N3O7S/c1-33-23-11-7-6-10-22(23)28(36(31,32)21-8-4-3-5-9-21)17-24(29)27-26-16-19-12-14-20(15-13-19)35-18-25(30)34-2/h3-16H,17-18H2,1-2H3,(H,27,29)

>  <InChI Key>
BNBBFTGNLHTAEL-UHFFFAOYSA-N

