
 AC1L33GU

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.7708    1.9584    5.7928 C   0  0  0  0  0
    4.4679    1.7647    4.4563 C   0  0  0  0  0
    5.2692    3.0019    4.0499 C   0  0  0  0  0
    5.8885    2.8159    2.6680 C   0  0  0  0  0
    6.7933    4.2810    2.1499 S   0  0  0  0  0
    5.8382    5.3270    1.8559 O   0  0  0  0  0
    7.8563    4.4860    3.1094 O   0  0  0  0  0
    7.4929    3.8129    0.6333 N   0  0  0  0  0
    6.4718    3.3310   -0.3477 C   0  0  0  0  0
    8.4042    4.8873   -0.0072 C   0  0  0  0  0
    8.9647    4.3716   -1.3466 C   0  0  0  0  0
   10.0051    5.3047   -1.9508 C   0  0  0  0  0
   11.1111    5.6134   -1.0565 N   0  0  0  0  0
   12.0047    4.4726   -0.8207 C   0  0  0  0  0
   13.2783    4.9198   -0.0929 C   0  0  0  0  0
   13.0167    5.8800    1.0399 C   0  0  0  0  0
   14.0537    6.2027    1.9271 C   0  0  0  0  0
   13.8537    7.1454    2.9342 C   0  0  0  0  0
   12.6193    7.7766    3.0606 C   0  0  0  0  0
   11.5812    7.4628    2.1827 C   0  0  0  0  0
   11.7668    6.5159    1.1619 C   0  0  0  0  0
   10.6210    6.1804    0.2138 C   0  0  0  0  0
    9.5675    5.2929    0.9148 C   0  0  0  0  0
    3.2205    1.0526    6.0668 H   0  0  0  0  0
    3.0562    2.7864    5.7448 H   0  0  0  0  0
    4.4932    2.1716    6.5867 H   0  0  0  0  0
    3.7144    1.5400    3.6920 H   0  0  0  0  0
    5.1341    0.8964    4.5182 H   0  0  0  0  0
    6.0531    3.1974    4.7918 H   0  0  0  0  0
    4.6138    3.8812    4.0440 H   0  0  0  0  0
    5.0849    2.6361    1.9508 H   0  0  0  0  0
    6.5927    1.9788    2.6640 H   0  0  0  0  0
    5.8225    2.5687    0.0809 H   0  0  0  0  0
    6.9545    2.8179   -1.1840 H   0  0  0  0  0
    5.8659    4.1586   -0.7271 H   0  0  0  0  0
    7.7857    5.7718   -0.2100 H   0  0  0  0  0
    8.1600    4.2820   -2.0852 H   0  0  0  0  0
    9.3864    3.3669   -1.2175 H   0  0  0  0  0
    9.5161    6.2438   -2.2421 H   0  0  0  0  0
   10.3848    4.8767   -2.8868 H   0  0  0  0  0
   12.3044    4.0198   -1.7741 H   0  0  0  0  0
   11.5113    3.6818   -0.2427 H   0  0  0  0  0
   13.9444    5.4176   -0.8091 H   0  0  0  0  0
   13.7983    4.0322    0.2871 H   0  0  0  0  0
   15.0268    5.7280    1.8270 H   0  0  0  0  0
   14.6636    7.3934    3.6146 H   0  0  0  0  0
   12.4642    8.5161    3.8415 H   0  0  0  0  0
   10.6235    7.9662    2.2957 H   0  0  0  0  0
   10.1425    7.1376   -0.0400 H   0  0  0  0  0
   10.0357    4.3972    1.3434 H   0  0  0  0  0
    9.1748    5.8715    1.7573 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  8  1  0  0  0
  5  7  2  0  0  0
  5  6  2  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
M  END

>  <Chemical Name>
AC1L33GU

>  <PubChem CID>
133820

>  <Formula>
C18H28N2O2S

>  <Molecular Weight>
336.494000

>  <IUPAC Name>
N-[(2S,11bR)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylbutane-1-sulfonamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCS(=O)(=O)N(C)C1CCN2CCC3=CC=CC=C3C2C1

>  <Isomeric SMILES>
CCCCS(=O)(=O)N(C)[C@H]1CCN2CCC3=CC=CC=C3[C@H]2C1

>  <InChI Std. ID>
InChI=1S/C18H28N2O2S/c1-3-4-13-23(21,22)19(2)16-10-12-20-11-9-15-7-5-6-8-17(15)18(20)14-16/h5-8,16,18H,3-4,9-14H2,1-2H3/t16-,18+/m0/s1

>  <InChI Key>
LVHNKZNYJNTKDF-FUHWJXTLSA-N

