| SpectraBase Spectrum ID |
336X1aRbNUe |
| Name |
Benzoic acid, 4-[(diethylamino)sulfonyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.126005612 u |
| Formula |
C17H22N4O6S |
| InChI |
InChI=1S/C17H22N4O6S/c1-4-19(5-2)28(25,26)15-8-6-14(7-9-15)17(22)27-11-10-20-13(3)18-12-16(20)21(23)24/h6-9,12H,4-5,10-11H2,1-3H3 |
| InChIKey |
CWPITTPXQHRKFF-UHFFFAOYSA-N |
| Molecular Weight |
410.445 g/mol |
| SMILES |
CCN(S(C1=CC=C(C(=O)OCCN2C(N(=O)=O)=CN=C2C)C=C1)(=O)=O)CC |
![Benzoic acid, 4-[(diethylamino)sulfonyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester](/api/spectrum/336X1aRbNUe/structure.png?h=300&w=458 "Benzoic acid, 4-[(diethylamino)sulfonyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester")
