
 ST51008084

 36 38  0  0  0  0  0  0  0  0999 V2000
    4.0939    0.2825   -2.9316 C   0  0  0  0  0
    3.8791    0.7740   -1.6474 C   0  0  0  0  0
    2.6610    0.5442   -1.0069 C   0  0  0  0  0
    1.6420   -0.1799   -1.6450 C   0  0  0  0  0
    0.4153   -0.4197   -1.0103 C   0  0  0  0  0
   -0.5907   -1.1302   -1.6743 C   0  0  0  0  0
   -0.3868   -1.6269   -2.9609 C   0  0  0  0  0
    0.8361   -1.3995   -3.5950 C   0  0  0  0  0
    1.8570   -0.6769   -2.9530 C   0  0  0  0  0
    3.0899   -0.4383   -3.5808 C   0  0  0  0  0
   -2.1405   -1.3940   -0.8496 S   0  0  0  0  0
   -3.0360   -2.0738   -1.7585 O   0  0  0  0  0
   -1.8430   -1.9058    0.4690 O   0  0  0  0  0
   -2.7163    0.1781   -0.6396 N   0  0  0  0  0
   -3.0380    0.9587   -1.8490 C   0  0  0  0  0
   -3.5583    2.3462   -1.4513 C   0  0  0  0  0
   -2.5135    3.1760   -0.7799 C   0  0  0  0  0
   -1.2622    3.5926   -1.1839 C   0  0  0  0  0
   -0.6552    4.3330   -0.2052 N   0  0  0  0  0
   -1.5259    4.3989    0.7742 C   0  0  0  0  0
   -2.6687    3.7138    0.4749 N   0  0  0  0  0
    5.0437    0.4604   -3.4294 H   0  0  0  0  0
    4.6593    1.3377   -1.1421 H   0  0  0  0  0
    2.5137    0.9396   -0.0038 H   0  0  0  0  0
    0.2463   -0.0564    0.0012 H   0  0  0  0  0
   -1.1628   -2.1908   -3.4736 H   0  0  0  0  0
    0.9906   -1.7933   -4.5979 H   0  0  0  0  0
    3.2794   -0.8136   -4.5841 H   0  0  0  0  0
   -2.1873    0.6709    0.0805 H   0  0  0  0  0
   -3.8144    0.4386   -2.4197 H   0  0  0  0  0
   -2.1497    1.0625   -2.4801 H   0  0  0  0  0
   -4.4302    2.2370   -0.7939 H   0  0  0  0  0
   -3.8989    2.8728   -2.3506 H   0  0  0  0  0
   -0.7611    3.3927   -2.1233 H   0  0  0  0  0
   -1.3878    4.9224    1.7111 H   0  0  0  0  0
   -3.4783    3.6268    1.0749 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
 10 28  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
ST51008084

>  <PubChem CID>
4205028

>  <Formula>
C15H15N3O2S

>  <Molecular Weight>
301.364000

>  <IUPAC Name>
N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC3=CN=CN3

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C15H15N3O2S/c19-21(20,18-8-7-14-10-16-11-17-14)15-6-5-12-3-1-2-4-13(12)9-15/h1-6,9-11,18H,7-8H2,(H,16,17)

>  <InChI Key>
BNPIVLDNPJIRGR-UHFFFAOYSA-N

