
 SMR000082223

 55 57  0  0  0  0  0  0  0  0999 V2000
    4.2130   -1.5768   -0.5118 C   0  0  0  0  0
    4.1368   -0.8681   -1.8558 C   0  0  0  0  0
    4.3581    0.6408   -1.7499 C   0  0  0  0  0
    5.6818    0.8875   -1.2679 O   0  0  0  0  0
    5.9977    2.1989   -0.9888 C   0  0  0  0  0
    5.4881    3.2643   -1.7315 C   0  0  0  0  0
    5.8790    4.5669   -1.4426 C   0  0  0  0  0
    6.7817    4.8194   -0.4011 C   0  0  0  0  0
    7.3109    3.7601    0.3935 C   0  0  0  0  0
    8.1924    3.9238    1.4981 C   0  0  0  0  0
    8.7122    2.8409    2.2093 C   0  0  0  0  0
    8.3537    1.5529    1.8561 C   0  0  0  0  0
    7.4643    1.3543    0.8025 C   0  0  0  0  0
    6.9246    2.4300    0.0611 C   0  0  0  0  0
    7.1999    6.5322   -0.1028 S   0  0  0  0  0
    6.5498    7.3476   -1.1056 O   0  0  0  0  0
    7.0069    6.7816    1.3072 O   0  0  0  0  0
    8.8634    6.5893   -0.4022 N   0  0  0  0  0
    9.3164    6.6767   -1.7992 C   0  0  0  0  0
   10.8403    6.8227   -1.7939 C   0  0  0  0  0
   11.3756    7.1634   -3.1889 C   0  0  0  0  0
   12.8471    7.1837   -3.2611 N   0  0  0  0  0
   13.3062    7.4077   -4.6546 C   0  0  0  0  0
   13.1210    8.8548   -5.1495 C   0  0  0  0  0
   13.7546    9.7972   -4.2759 O   0  0  0  0  0
   13.2729    9.6566   -2.9335 C   0  0  0  0  0
   13.4815    8.2235   -2.4174 C   0  0  0  0  0
    4.0351   -2.6492   -0.6437 H   0  0  0  0  0
    3.4566   -1.1909    0.1786 H   0  0  0  0  0
    5.1976   -1.4549   -0.0505 H   0  0  0  0  0
    3.1565   -1.0583   -2.3071 H   0  0  0  0  0
    4.8963   -1.3006   -2.5177 H   0  0  0  0  0
    3.6169    1.0829   -1.0727 H   0  0  0  0  0
    4.2375    1.0617   -2.7536 H   0  0  0  0  0
    4.8013    3.1098   -2.5570 H   0  0  0  0  0
    5.4673    5.3812   -2.0365 H   0  0  0  0  0
    8.4796    4.9091    1.8569 H   0  0  0  0  0
    9.3855    3.0113    3.0462 H   0  0  0  0  0
    8.7472    0.7023    2.4059 H   0  0  0  0  0
    7.1829    0.3301    0.5602 H   0  0  0  0  0
    9.3817    5.9186    0.1628 H   0  0  0  0  0
    8.8670    7.5554   -2.2732 H   0  0  0  0  0
    9.0246    5.7779   -2.3509 H   0  0  0  0  0
   11.2945    5.8922   -1.4299 H   0  0  0  0  0
   11.1130    7.6099   -1.0812 H   0  0  0  0  0
   10.9393    8.1127   -3.5188 H   0  0  0  0  0
   11.0098    6.3920   -3.8791 H   0  0  0  0  0
   12.8141    6.7075   -5.3397 H   0  0  0  0  0
   14.3765    7.1652   -4.6895 H   0  0  0  0  0
   13.5794    8.9656   -6.1374 H   0  0  0  0  0
   12.0618    9.1161   -5.2509 H   0  0  0  0  0
   13.8363   10.3573   -2.3088 H   0  0  0  0  0
   12.2195    9.9551   -2.8921 H   0  0  0  0  0
   14.5606    8.0176   -2.4088 H   0  0  0  0  0
   13.1653    8.1439   -1.3732 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 27  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
M  END

>  <Chemical Name>
SMR000082223

>  <PubChem CID>
2236728

>  <Formula>
C20H28N2O4S

>  <Molecular Weight>
392.514000

>  <IUPAC Name>
N-(3-morpholin-4-ylpropyl)-4-propoxynaphthalene-1-sulfonamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCCN3CCOCC3

>  <Isomeric SMILES>
CCCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCCCN3CCOCC3

>  <InChI Std. ID>
InChI=1S/C20H28N2O4S/c1-2-14-26-19-8-9-20(18-7-4-3-6-17(18)19)27(23,24)21-10-5-11-22-12-15-25-16-13-22/h3-4,6-9,21H,2,5,10-16H2,1H3

>  <InChI Key>
ABWNKYVGNKIEEL-UHFFFAOYSA-N

