| SpectraBase Spectrum ID |
AWcBcGdeJZH |
| Name |
N-benzyl-N-(6-chloro-2-cyclohexyl-3-methylquinolin-4-yl)-4-methylbenzenesulfonamide |
| Appearance |
Colorless crystal |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.179477118 u |
| Formula |
C30H31ClN2O2S |
| InChI |
InChI=1S/C30H31ClN2O2S/c1-21-13-16-26(17-14-21)36(34,35)33(20-23-9-5-3-6-10-23)30-22(2)29(24-11-7-4-8-12-24)32-28-18-15-25(31)19-27(28)30/h3,5-6,9-10,13-19,24H,4,7-8,11-12,20H2,1-2H3 |
| InChIKey |
RYTOIZLNVLGOBA-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
519.103 g/mol |
| Quality |
77 |
| Reported Formula |
C30H31N2O2(32)S(35)Cl |
| SMILES |
C1(N(CC2=CC=CC=C2)S(C2=CC=C(C=C2)C)(=O)=O)=C(C(=NC2=C1C=C(C=C2)Cl)C1CCCCC1)C |
| SPLASH |
splash10-0006-9030210000-d63b296ca59f9811292c |
| Source of Spectrum |
ACI-55-SM38-53 (DOI: 10.1002/anie.201511385) |
| Wiley ID |
1895180 |
