
 Ethanesulfonamide, N-[3-(3-pyrrolidinyl)phenyl]-

 35 36  0  0  0  0  0  0  0  0999 V2000
    0.9865    0.9833   -2.4809 C   0  0  0  0  0
    1.8713    1.4520   -1.3424 C   0  0  0  0  0
    3.5970    1.4319   -1.8059 S   0  0  0  0  0
    3.9969    0.0494   -1.9743 O   0  0  0  0  0
    3.8122    2.4162   -2.8405 O   0  0  0  0  0
    4.3101    1.9275   -0.3465 N   0  0  0  0  0
    5.0633    3.1393   -0.3830 C   0  0  0  0  0
    4.4201    4.3579   -0.1871 C   0  0  0  0  0
    5.1569    5.5408   -0.2335 C   0  0  0  0  0
    6.5295    5.5031   -0.4918 C   0  0  0  0  0
    7.1834    4.2830   -0.7201 C   0  0  0  0  0
    6.4298    3.0988   -0.6706 C   0  0  0  0  0
    8.6660    4.2671   -1.0174 C   0  0  0  0  0
    9.4971    3.4996    0.0147 C   0  0  0  0  0
   10.6747    2.9982   -0.7979 C   0  0  0  0  0
   10.0500    2.5983   -2.0546 N   0  0  0  0  0
    9.0523    3.6305   -2.3645 C   0  0  0  0  0
   -0.0649    1.0097   -2.1819 H   0  0  0  0  0
    1.2329   -0.0422   -2.7748 H   0  0  0  0  0
    1.1078    1.6207   -3.3627 H   0  0  0  0  0
    1.7534    0.7948   -0.4753 H   0  0  0  0  0
    1.6169    2.4782   -1.0605 H   0  0  0  0  0
    4.8352    1.1335    0.0275 H   0  0  0  0  0
    3.3544    4.3954    0.0121 H   0  0  0  0  0
    4.6625    6.4957   -0.0714 H   0  0  0  0  0
    7.0829    6.4394   -0.5229 H   0  0  0  0  0
    6.9144    2.1441   -0.8652 H   0  0  0  0  0
    9.0365    5.3024   -1.0299 H   0  0  0  0  0
    8.9492    2.6505    0.4414 H   0  0  0  0  0
    9.8110    4.1405    0.8451 H   0  0  0  0  0
   11.4047    3.7985   -0.9666 H   0  0  0  0  0
   11.1806    2.1581   -0.3140 H   0  0  0  0  0
   10.7376    2.5225   -2.8025 H   0  0  0  0  0
    9.5013    4.3926   -3.0135 H   0  0  0  0  0
    8.2100    3.1912   -2.9077 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  6  1  0  0  0
  3  5  2  0  0  0
  3  4  2  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 27  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
M  END

>  <Chemical Name>
Ethanesulfonamide, N-[3-(3-pyrrolidinyl)phenyl]-

>  <PubChem CID>
11736917

>  <Formula>
C12H18N2O2S

>  <Molecular Weight>
254.348000

>  <IUPAC Name>
N-(3-pyrrolidin-3-ylphenyl)ethanesulfonamide

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCS(=O)(=O)NC1=CC=CC(=C1)C2CCNC2

>  <Isomeric SMILES>
CCS(=O)(=O)NC1=CC=CC(=C1)C2CCNC2

>  <InChI Std. ID>
InChI=1S/C12H18N2O2S/c1-2-17(15,16)14-12-5-3-4-10(8-12)11-6-7-13-9-11/h3-5,8,11,13-14H,2,6-7,9H2,1H3

>  <InChI Key>
AMHWJNQMVQHMFJ-UHFFFAOYSA-N

