| SpectraBase Spectrum ID |
8QPIvqcFgij |
| Name |
Methyl 4-(N-(4-methylbenzyl)-N-(pyridin-3-ylethynyl)sulfamoyl)benzoate |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H20N2O4S |
| InChI |
InChI=1S/C23H20N2O4S/c1-18-5-7-20(8-6-18)17-25(15-13-19-4-3-14-24-16-19)30(27,28)22-11-9-21(10-12-22)23(26)29-2/h3-12,14,16H,17H2,1-2H3 |
| InChIKey |
PYEDWWIWEXYRPI-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
420.483 g/mol |
| Quality |
89 |
| Reported Formula |
C23H20N2O4(32)S |
| SMILES |
C(N(CC1=CC=C(C=C1)C)S(C1=CC=C(C=C1)C(OC)=O)(=O)=O)#CC1=CC=CN=C1 |
| SPLASH |
splash10-0ab9-0930300000-35d8783e0e587306dc51 |
| Source of Spectrum |
ACI-55-SM19-24 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.18 (cHex/EtOAc, 2:1) |
| Wiley ID |
1895165 |
