
 AC1NEUTW

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.6896    2.2048   -3.4765 C   0  0  0  0  0
    1.8537    0.9031   -3.9447 C   0  0  0  0  0
    1.8960   -0.1629   -3.0447 C   0  0  0  0  0
    1.7700    0.0608   -1.6659 C   0  0  0  0  0
    1.5935    1.3756   -1.2081 C   0  0  0  0  0
    1.5612    2.4412   -2.1098 C   0  0  0  0  0
    1.8106   -1.0952   -0.7000 C   0  0  0  0  0
    3.5076   -1.5427   -0.2897 S   0  0  0  0  0
    3.4515   -2.5897    0.7130 O   0  0  0  0  0
    4.2857   -1.7262   -1.4947 O   0  0  0  0  0
    4.0915   -0.1406    0.4594 N   0  0  0  0  0
    5.5210   -0.1302    0.8860 C   0  0  0  0  0
    5.9142   -1.1958    1.9075 C   0  0  0  0  0
    5.1092   -1.1576    3.1591 C   0  0  0  0  0
    5.0968   -0.3135    4.2472 C   0  0  0  0  0
    4.1727   -0.7234    5.1745 N   0  0  0  0  0
    3.6204   -1.7992    4.6614 C   0  0  0  0  0
    4.1425   -2.0930    3.4359 N   0  0  0  0  0
    1.6578    3.0338   -4.1793 H   0  0  0  0  0
    1.9500    0.7165   -5.0118 H   0  0  0  0  0
    2.0322   -1.1719   -3.4320 H   0  0  0  0  0
    1.4765    1.5822   -0.1457 H   0  0  0  0  0
    1.4284    3.4576   -1.7476 H   0  0  0  0  0
    1.3386   -1.9823   -1.1346 H   0  0  0  0  0
    1.2911   -0.8641    0.2355 H   0  0  0  0  0
    3.9283    0.6624   -0.1547 H   0  0  0  0  0
    5.7103    0.8639    1.3107 H   0  0  0  0  0
    6.1551   -0.2071   -0.0046 H   0  0  0  0  0
    6.9686   -1.0450    2.1730 H   0  0  0  0  0
    5.8680   -2.1926    1.4543 H   0  0  0  0  0
    5.7049    0.5651    4.4174 H   0  0  0  0  0
    2.8435   -2.3964    5.1199 H   0  0  0  0  0
    3.8481   -2.8371    2.8117 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
M  END

>  <Chemical Name>
AC1NEUTW

>  <PubChem CID>
4598386

>  <Formula>
C12H15N3O2S

>  <Molecular Weight>
265.331000

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

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)CS(=O)(=O)NCCC2=CN=CN2

>  <Isomeric SMILES>
C1=CC=C(C=C1)CS(=O)(=O)NCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C12H15N3O2S/c16-18(17,9-11-4-2-1-3-5-11)15-7-6-12-8-13-10-14-12/h1-5,8,10,15H,6-7,9H2,(H,13,14)

>  <InChI Key>
CXTVOCBOZDKVHS-UHFFFAOYSA-N

