
 CHEMBL149152

 58 59  0  0  0  0  0  0  0  0999 V2000
    7.3776    7.1212    2.9710 Li  0  0  0  0  0
    3.3886    3.8290   -1.9610 C   0  0  0  0  0
    3.4138    2.4469   -1.4322 C   0  0  0  0  0
    2.3602    1.6590   -1.0212 C   0  0  0  0  0
    2.8281    0.4610   -0.5828 O   0  0  0  0  0
    4.2063    0.4487   -0.6536 N   0  0  0  0  0
    4.5534    1.6556   -1.1109 C   0  0  0  0  0
    5.9852    2.0258   -1.1690 C   0  0  0  0  0
    0.9954    2.0331   -1.0310 N   0  0  0  0  0
    0.3509    2.1339    0.5563 S   0  0  0  0  0
   -1.0902    2.1071    0.4179 O   0  0  0  0  0
    1.0116    1.1951    1.4112 O   0  0  0  0  0
    0.7677    3.8462    0.9494 C   0  0  0  0  0
    0.0321    4.7699    0.1598 C   0  0  0  0  0
    0.3028    6.1251    0.1960 C   0  0  0  0  0
    1.3318    6.5756    1.0028 C   0  0  0  0  0
    2.0839    5.6791    1.7875 C   0  0  0  0  0
    1.7756    4.2853    1.8515 C   0  0  0  0  0
    2.4751    3.4030    2.8339 C   0  0  0  0  0
    3.8730    3.4035    2.9787 C   0  0  0  0  0
    4.5300    2.5475    3.8791 C   0  0  0  0  0
    3.8138    1.6137    4.6335 C   0  0  0  0  0
    2.4210    1.6379    4.5447 C   0  0  0  0  0
    1.7661    2.5485    3.6961 C   0  0  0  0  0
    4.5425    0.5316    5.3992 C   0  0  0  0  0
    4.5829    0.5909    6.9389 C   0  0  0  0  0
    5.2335    1.8664    7.4688 C   0  0  0  0  0
    3.2219    0.3594    7.5922 C   0  0  0  0  0
    3.1356    6.1664    2.5408 O   0  0  0  0  0
    3.8920    7.2145    1.8996 C   0  0  0  0  0
    5.3267    7.1634    2.3514 C   0  0  0  0  0
    6.0946    6.2080    2.0250 O   0  0  0  0  0
    5.8475    8.1139    3.0070 O   0  0  0  0  0
    4.2777    4.0427   -2.5615 H   0  0  0  0  0
    3.3511    4.5495   -1.1382 H   0  0  0  0  0
    2.5161    3.9932   -2.6017 H   0  0  0  0  0
    6.1971    2.6617   -2.0327 H   0  0  0  0  0
    6.6241    1.1395   -1.2382 H   0  0  0  0  0
    6.2597    2.5734   -0.2611 H   0  0  0  0  0
    0.7997    2.8867   -1.5453 H   0  0  0  0  0
   -0.7683    4.4246   -0.4951 H   0  0  0  0  0
   -0.2722    6.8226   -0.4065 H   0  0  0  0  0
    1.5320    7.6433    1.0264 H   0  0  0  0  0
    4.4877    4.0694    2.3777 H   0  0  0  0  0
    5.6142    2.5875    3.9397 H   0  0  0  0  0
    1.8203    0.9111    5.0867 H   0  0  0  0  0
    0.6787    2.5144    3.6646 H   0  0  0  0  0
    5.5816    0.4997    5.0421 H   0  0  0  0  0
    4.1185   -0.4345    5.0922 H   0  0  0  0  0
    5.2220   -0.2457    7.2564 H   0  0  0  0  0
    4.6343    2.7529    7.2401 H   0  0  0  0  0
    6.2310    2.0021    7.0380 H   0  0  0  0  0
    5.3496    1.8120    8.5574 H   0  0  0  0  0
    2.5436    1.2022    7.4326 H   0  0  0  0  0
    3.3360    0.2287    8.6743 H   0  0  0  0  0
    2.7503   -0.5479    7.2003 H   0  0  0  0  0
    3.4581    8.1843    2.1673 H   0  0  0  0  0
    3.9028    7.1021    0.8073 H   0  0  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 57  1  0  0  0
 30 58  1  0  0  0
 31 33  1  0  0  0
 31 32  2  0  0  0
M  CHG  2   1   1  33  -1
M  END

>  <Chemical Name>
CHEMBL149152

>  <PubChem CID>
44365792

>  <Formula>
C23H25LiN2O6S

>  <Molecular Weight>
464.461000

>  <IUPAC Name>
lithium;2-[3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-[4-(2-methylpropyl)phenyl]phenoxy]acetate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
[Li+].CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC(=C2C3=CC=C(C=C3)CC(C)C)OCC(=O)[O-]

>  <Isomeric SMILES>
[Li+].CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC(=C2C3=CC=C(C=C3)CC(C)C)OCC(=O)[O-]

>  <InChI Std. ID>
InChI=1S/C23H26N2O6S.Li/c1-14(2)12-17-8-10-18(11-9-17)22-19(30-13-21(26)27)6-5-7-20(22)32(28,29)25-23-15(3)16(4)24-31-23;/h5-11,14,25H,12-13H2,1-4H3,(H,26,27);/q;+1/p-1

>  <InChI Key>
FBLYWBXYVRVGBE-UHFFFAOYSA-M

