
 Levosulpiride

 46 47  0  0  0  0  0  0  0  0999 V2000
    2.3676   -0.7622    5.1680 C   0  0  0  0  0
    3.6370   -0.0600    4.6937 C   0  0  0  0  0
    3.3465    1.1575    3.9217 N   0  0  0  0  0
    2.7296    2.1882    4.7696 C   0  0  0  0  0
    2.8773    3.4442    3.9416 C   0  0  0  0  0
    4.2337    3.2873    3.2781 C   0  0  0  0  0
    4.5743    1.7875    3.3628 C   0  0  0  0  0
    4.9863    1.2755    1.9621 C   0  0  0  0  0
    5.3341   -0.1288    1.9222 N   0  0  0  0  0
    6.6022   -0.6050    2.1425 C   0  0  0  0  0
    7.5700    0.1342    2.2905 O   0  0  0  0  0
    6.7656   -2.0947    2.2544 C   0  0  0  0  0
    5.7891   -3.0406    1.8664 C   0  0  0  0  0
    6.0460   -4.4083    2.0517 C   0  0  0  0  0
    7.2384   -4.8396    2.6385 C   0  0  0  0  0
    8.1974   -3.9034    3.0215 C   0  0  0  0  0
    7.9702   -2.5401    2.8308 C   0  0  0  0  0
    9.6674   -4.4446    3.8429 S   0  0  0  0  0
   10.2186   -3.3516    4.6074 O   0  0  0  0  0
    9.4267   -5.7456    4.4203 O   0  0  0  0  0
   10.7159   -4.6957    2.5588 N   0  0  0  0  0
    4.6270   -2.5696    1.3090 O   0  0  0  0  0
    3.5436   -3.4798    1.1542 C   0  0  0  0  0
    2.6217   -1.7256    5.6223 H   0  0  0  0  0
    1.6869   -0.9554    4.3321 H   0  0  0  0  0
    1.8345   -0.1741    5.9215 H   0  0  0  0  0
    4.1787   -0.7801    4.0757 H   0  0  0  0  0
    4.2774    0.1585    5.5577 H   0  0  0  0  0
    3.2618    2.3044    5.7227 H   0  0  0  0  0
    1.6752    1.9807    4.9765 H   0  0  0  0  0
    2.0908    3.4923    3.1786 H   0  0  0  0  0
    2.8159    4.3532    4.5476 H   0  0  0  0  0
    4.1944    3.6686    2.2516 H   0  0  0  0  0
    4.9876    3.8714    3.8189 H   0  0  0  0  0
    5.4145    1.6638    4.0605 H   0  0  0  0  0
    5.8423    1.8571    1.6005 H   0  0  0  0  0
    4.1657    1.4137    1.2491 H   0  0  0  0  0
    4.5732   -0.7944    1.8448 H   0  0  0  0  0
    5.3328   -5.1707    1.7522 H   0  0  0  0  0
    7.4066   -5.9034    2.7958 H   0  0  0  0  0
    8.7192   -1.8152    3.1486 H   0  0  0  0  0
   10.9958   -5.6763    2.5280 H   0  0  0  0  0
   11.5015   -4.0466    2.6224 H   0  0  0  0  0
    2.6701   -2.9039    0.8335 H   0  0  0  0  0
    3.2917   -3.9628    2.1043 H   0  0  0  0  0
    3.7607   -4.2182    0.3761 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  7  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 41  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
Levosulpiride

>  <PubChem CID>
688272

>  <Formula>
C15H23N3O4S

>  <Molecular Weight>
341.426000

>  <IUPAC Name>
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide

>  <XlogP>
0.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

>  <Isomeric SMILES>
CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

>  <InChI Std. ID>
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1

>  <InChI Key>
BGRJTUBHPOOWDU-NSHDSACASA-N

