
 AC1MVS18

 61 63  0  0  0  0  0  0  0  0999 V2000
    9.2844    0.5878    4.5468 C   0  0  0  0  0
    8.4325   -0.4439    3.8646 C   0  0  0  0  0
    7.0939   -0.6209    4.2368 C   0  0  0  0  0
    6.3068   -1.5863    3.6057 C   0  0  0  0  0
    6.8559   -2.3710    2.5859 C   0  0  0  0  0
    8.2042   -2.2434    2.2442 C   0  0  0  0  0
    8.9867   -1.2769    2.8818 C   0  0  0  0  0
    5.8377   -3.5836    1.7627 S   0  0  0  0  0
    6.7104   -4.6614    1.3425 O   0  0  0  0  0
    4.7055   -3.8560    2.6239 O   0  0  0  0  0
    5.2768   -2.7864    0.3509 N   0  0  0  0  0
    6.2528   -2.6832   -0.7632 C   0  0  0  0  0
    5.5526   -2.3764   -2.0839 C   0  0  0  0  0
    5.4436   -1.2271   -2.5108 O   0  0  0  0  0
    5.0563   -3.4760   -2.7579 N   0  0  0  0  0
    4.2619   -3.3372   -3.9719 C   0  0  0  0  0
    5.1005   -2.9602   -5.2001 C   0  0  0  0  0
    4.2738   -2.7951   -6.4547 C   0  0  0  0  0
    3.7265   -3.9055   -7.1108 C   0  0  0  0  0
    2.9569   -3.7720   -8.2815 C   0  0  0  0  0
    2.7462   -2.4937   -8.8224 C   0  0  0  0  0
    3.2808   -1.3796   -8.1583 C   0  0  0  0  0
    4.0367   -1.5278   -6.9899 C   0  0  0  0  0
    1.9669   -2.3526   -9.9409 O   0  0  0  0  0
    2.3502   -1.3194  -10.8434 C   0  0  0  0  0
    2.5166   -4.9839   -8.7489 O   0  0  0  0  0
    1.7074   -5.0172   -9.9145 C   0  0  0  0  0
    4.4218   -1.6516    0.5905 C   0  0  0  0  0
    3.0493   -1.8746    0.7198 C   0  0  0  0  0
    2.1925   -0.8180    1.0379 C   0  0  0  0  0
    2.7144    0.4564    1.2517 C   0  0  0  0  0
    4.0835    0.6859    1.1356 C   0  0  0  0  0
    4.9373   -0.3670    0.7981 C   0  0  0  0  0
    1.6656    1.7512    1.6776 Cl  0  0  0  0  0
    8.6689    1.3432    5.0469 H   0  0  0  0  0
    9.9102    1.1115    3.8162 H   0  0  0  0  0
    9.9269    0.1125    5.2941 H   0  0  0  0  0
    6.6542   -0.0058    5.0198 H   0  0  0  0  0
    5.2669   -1.7069    3.9036 H   0  0  0  0  0
    8.6540   -2.8866    1.4922 H   0  0  0  0  0
   10.0364   -1.1762    2.6115 H   0  0  0  0  0
    6.7858   -3.6311   -0.8976 H   0  0  0  0  0
    7.0033   -1.9095   -0.5752 H   0  0  0  0  0
    5.0502   -4.3714   -2.2827 H   0  0  0  0  0
    3.4856   -2.5848   -3.7894 H   0  0  0  0  0
    3.7613   -4.2991   -4.1319 H   0  0  0  0  0
    5.8668   -3.7254   -5.3797 H   0  0  0  0  0
    5.6552   -2.0340   -5.0069 H   0  0  0  0  0
    3.8955   -4.9051   -6.7139 H   0  0  0  0  0
    3.1023   -0.3712   -8.5183 H   0  0  0  0  0
    4.4330   -0.6401   -6.5002 H   0  0  0  0  0
    1.7992   -1.4740  -11.7767 H   0  0  0  0  0
    3.4199   -1.3648  -11.0744 H   0  0  0  0  0
    2.0703   -0.3337  -10.4599 H   0  0  0  0  0
    1.4597   -6.0649  -10.1134 H   0  0  0  0  0
    2.2515   -4.6452  -10.7884 H   0  0  0  0  0
    0.7622   -4.4876   -9.7595 H   0  0  0  0  0
    2.6421   -2.8726    0.5778 H   0  0  0  0  0
    1.1249   -0.9993    1.1280 H   0  0  0  0  0
    4.4942    1.6765    1.3128 H   0  0  0  0  0
    6.0026   -0.1679    0.7223 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 28  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 26  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 50  1  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 26 27  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 30 31  2  0  0  0
 30 59  1  0  0  0
 31 32  1  0  0  0
 31 34  1  0  0  0
 32 33  2  0  0  0
 32 60  1  0  0  0
 33 61  1  0  0  0
M  END

>  <Chemical Name>
AC1MVS18

>  <PubChem CID>
3688070

>  <Formula>
C25H27ClN2O5S

>  <Molecular Weight>
503.010000

>  <IUPAC Name>
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C25H27ClN2O5S/c1-18-4-11-22(12-5-18)34(30,31)28(21-9-7-20(26)8-10-21)17-25(29)27-15-14-19-6-13-23(32-2)24(16-19)33-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)

>  <InChI Key>
AKWXJPFLZICZSY-UHFFFAOYSA-N

