| SpectraBase Spectrum ID |
54f5mgTKPCl |
| Name |
Benzamide, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)-3-(4-morpholinylsulfonyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.058376180 u |
| Formula |
C20H20ClN3O4S2 |
| InChI |
InChI=1S/C20H20ClN3O4S2/c21-16-6-5-13(11-18(16)30(26,27)24-7-9-28-10-8-24)19(25)23-20-15(12-22)14-3-1-2-4-17(14)29-20/h5-6,11H,1-4,7-10H2,(H,23,25) |
| InChIKey |
XINQJJZPKOSROC-UHFFFAOYSA-N |
| Molecular Weight |
465.970 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C#N)C(C=1C=C(S(N2CCOCC2)(=O)=O)C(=CC1)Cl)=O |
![benzamide, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-(4-morpholinylsulfonyl)-](/api/spectrum/54f5mgTKPCl/structure.png?h=300&w=458 "benzamide, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-(4-morpholinylsulfonyl)-")
