| SpectraBase Spectrum ID |
JAoU9NX1eYS |
| Name |
Methyl 4-(N-benzyl-N-(2-cyclohexylquinolin-4-yl)sulfamoyl)benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H30N2O4S |
| InChI |
InChI=1S/C30H30N2O4S/c1-36-30(33)24-16-18-25(19-17-24)37(34,35)32(21-22-10-4-2-5-11-22)29-20-28(23-12-6-3-7-13-23)31-27-15-9-8-14-26(27)29/h2,4-5,8-11,14-20,23H,3,6-7,12-13,21H2,1H3 |
| InChIKey |
IFTGVFOPXPADCG-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511385 |
| Molecular Weight |
514.640 g/mol |
| Quality |
31 |
| Reported Formula |
C30H31N2O4(32)S |
| SMILES |
C1(N(CC2=CC=CC=C2)S(C2=CC=C(C=C2)C(=O)OC)(=O)=O)=CC(=NC2=C1C=CC=C2)C1CCCCC1 |
| SPLASH |
splash10-002f-9080040000-b3850c4f5e13652066dc |
| Source of Spectrum |
ACI-55-SM41-57 (DOI: 10.1002/anie.201511385) |
| Thin-Layer Chromatography |
0.39 (cHex/EtOAc, 3:1) |
| Wiley ID |
1895183 |
