| SpectraBase Spectrum ID |
IV8jCg9a1Nd |
| Name |
Methyl 4-(N-(4-(tert-butyl)benzyl)-N-(2-cyclohexylquinolin-4-yl)sulfamoyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.255228882 u |
| Formula |
C34H38N2O4S |
| InChI |
InChI=1S/C34H38N2O4S/c1-34(2,3)27-18-14-24(15-19-27)23-36(41(38,39)28-20-16-26(17-21-28)33(37)40-4)32-22-31(25-10-6-5-7-11-25)35-30-13-9-8-12-29(30)32/h8-9,12-22,25H,5-7,10-11,23H2,1-4H3 |
| InChIKey |
BMMRHMDGWARGBZ-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
570.748 g/mol |
| Quality |
7 |
| Reported Formula |
C34H39N2O4(32)S |
| SMILES |
C1(N(CC2=CC=C(C=C2)C(C)(C)C)S(C2=CC=C(C=C2)C(=O)OC)(=O)=O)=CC(=NC2=C1C=CC=C2)C1CCCCC1 |
| SPLASH |
splash10-006t-0901050000-960696708cffb1c5a85f |
| Source of Spectrum |
ACI-55-SM43-59 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.48 (cHex/EtOAc, 3:1) |
| Wiley ID |
1895184 |
