| SpectraBase Spectrum ID |
KpOAURtL5JX |
| Name |
Methyl 4-(N-(6-chloro-3-cyclopropyl-2-methylquinolin-4-yl)-N-(4-methylbenzyl)sulfamoyl)benzoate |
| Appearance |
Off-white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.138006227 u |
| Formula |
C29H27ClN2O4S |
| InChI |
InChI=1S/C29H27ClN2O4S/c1-18-4-6-20(7-5-18)17-32(37(34,35)24-13-10-22(11-14-24)29(33)36-3)28-25-16-23(30)12-15-26(25)31-19(2)27(28)21-8-9-21/h4-7,10-16,21H,8-9,17H2,1-3H3 |
| InChIKey |
GZHKRWLWZNVJEQ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
535.058 g/mol |
| Quality |
87 |
| Reported Formula |
C29H27N2O4(35)Cl(32)S |
| SMILES |
C(N(S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)C1=C(C(=NC2=C1C=C(C=C2)Cl)C)C1CC1)C1=CC=C(C=C1)C |
| SPLASH |
splash10-0a4r-0948020000-da0138a2c60d8a8b297b |
| Source of Spectrum |
ACI-55-SM28-40 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.23 (cHex/EtOAc, 3:1) |
| Wiley ID |
1895171 |
