多非利特结构式

中文名称:多非利特
英文名称:Dofetilide
CAS No.:115256-11-6
分子式:C19H27N3O5S2 分子量:441.5648
多非利特 数据
Mol:
  0
    4.2893    5.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    8.6350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   10.2050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   11.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400   10.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
M  END                                
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多非利特 Smile 编码:
CN(CCC1=CC=C(NS(=O)(C)=O)C=C1)CCOC1=CC=C(NS(=O)(C)=O)C=C1
多非利特 InChi 编码:
1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
多非利特 InChiKey 编码:
IXTMWRCNAAVVAI-UHFFFAOYSA-N