| SpectraBase Spectrum ID |
CvWNdp5f8Ks |
| Name |
1-[N-(2-Iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-6-[N'-(prop-2-ynyl)]hexanesulfonamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.094358973 u |
| Formula |
C25H29IN2O3S |
| InChI |
InChI=1S/C25H29IN2O3S/c1-4-18-27(32(30,31)22-14-8-7-9-15-22)19-12-5-6-13-20-28(25(29)21(2)3)24-17-11-10-16-23(24)26/h1,7-11,14-17H,2,5-6,12-13,18-20H2,3H3 |
| InChIKey |
XYHZGYVNVWBUMT-UHFFFAOYSA-N |
| Molecular Weight |
564.482 g/mol |
| SMILES |
C(N(S(=O)(=O)C=1C=CC=CC1)CCCCCCN(C(C(=C)C)=O)C1=C(I)C=CC=C1)C#C |
![1-[N-(2-iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-6-[N'-(prop-2-ynyl)]hexanesulfonamide](/api/spectrum/CvWNdp5f8Ks/structure.png?h=300&w=458 "1-[N-(2-iodophenyl)-N-(1-oxo-2-methylenepropyl)amino]-6-[N'-(prop-2-ynyl)]hexanesulfonamide")
