| SpectraBase Spectrum ID |
GtgL8TNn1BO |
| Name |
Methyl 4-(N-(2-methyl-3-phenyl-6-(trifluoromethyl)quinolin-4-yl)-N-(4-methylbenzyl)sulfamoyl)benzoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.164363016 u |
| Formula |
C33H27F3N2O4S |
| InChI |
InChI=1S/C33H27F3N2O4S/c1-21-9-11-23(12-10-21)20-38(43(40,41)27-16-13-25(14-17-27)32(39)42-3)31-28-19-26(33(34,35)36)15-18-29(28)37-22(2)30(31)24-7-5-4-6-8-24/h4-19H,20H2,1-3H3 |
| InChIKey |
XEVLXHWWCUGYGY-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
604.644 g/mol |
| Quality |
105 |
| Reported Formula |
C33H27N2O4F3(32)S |
| SMILES |
C(N(S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)C1=C(C(=NC2=C1C=C(C=C2)C(F)(F)F)C)C1=CC=CC=C1)C1=CC=C(C=C1)C |
| SPLASH |
splash10-0a4i-0703950000-b620aaa41536ffb6c47a |
| Source of Spectrum |
ACI-55-SM29-41 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.16 (cHex/EtOAc, 5:1) |
| Wiley ID |
1895172 |
