| SpectraBase Spectrum ID |
5idNxx4W8KP |
| Name |
N-[(1S)-1'-(Hydroxymethyl)-3'-(phenylseleno)propyl]-4-methylbenzene-sulfonamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.040736711 u |
| Formula |
C17H21NO3SSe |
| InChI |
InChI=1S/C17H21NO3SSe/c1-14-7-9-16(10-8-14)22(20,21)18-15(13-19)11-12-23-17-5-3-2-4-6-17/h2-10,15,18-19H,11-13H2,1H3/t15-/m0/s1 |
| InChIKey |
JQGKLOHVBCIYOM-HNNXBMFYSA-N |
| Molecular Weight |
398.391 g/mol |
| SMILES |
[C@@](NS(C1=CC=C(C=C1)C)(=O)=O)(CC[Se]C1=CC=CC=C1)(CO)[H] |
![N-[(1S)-1'-(Hydroxymethyl)-3'-(phenylseleno)propyl]-4-methylbenzene-sulfonamide](/api/spectrum/5idNxx4W8KP/structure.png?h=300&w=458 "N-[(1S)-1'-(Hydroxymethyl)-3'-(phenylseleno)propyl]-4-methylbenzene-sulfonamide")
