| SpectraBase Spectrum ID |
6uXo8i5kGdt |
| Name |
Benzoic acid, 4-[[3-[(4-bromophenyl)sulfonyl]-1-oxopropyl]amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.008906853 u |
| Formula |
C18H18BrNO5S |
| InChI |
InChI=1S/C18H18BrNO5S/c1-2-25-18(22)13-3-7-15(8-4-13)20-17(21)11-12-26(23,24)16-9-5-14(19)6-10-16/h3-10H,2,11-12H2,1H3,(H,20,21) |
| InChIKey |
PNNCMLKJPIFDSL-UHFFFAOYSA-N |
| Molecular Weight |
440.308 g/mol |
| SMILES |
N(C(CCS(C1=CC=C(C=C1)Br)(=O)=O)=O)C=1C=CC(C(=O)OCC)=CC1 |
![Benzoic acid, 4-[[3-[(4-bromophenyl)sulfonyl]-1-oxopropyl]amino]-, ethyl ester](/api/spectrum/6uXo8i5kGdt/structure.png?h=300&w=458 "Benzoic acid, 4-[[3-[(4-bromophenyl)sulfonyl]-1-oxopropyl]amino]-, ethyl ester")
