SpectraBase Spectrum ID |
D7PukmA0TAa |
Name |
1-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2-hydroxy-1-hydroxymethyl)ethylazulene |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H26ClNO4S |
InChI |
InChI=1S/C23H26ClNO4S/c24-21-9-11-22(12-10-21)30(28,29)25-14-2-1-3-18-6-7-19-5-4-17(8-13-23(18)19)20(15-26)16-27/h4-13,20,25-27H,1-3,14-16H2 |
InChIKey |
OXBLLOQCAOOKRF-UHFFFAOYSA-N |
Molecular Weight |
447.977 g/mol |
SMILES |
N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2ccc(C(CO)CO)ccc2cc1 |
SPLASH |
splash10-03di-0900000000-d6dbb072ff725ddb1a9e |
Source of Spectrum |
G2-4-588-28 |
Synonyms |
4-Chloro-N-{4-[6-(2-hydroxy-1-hydroxymethyl-ethyl)-azulen-1-yl]-butyl}-benzenesulfonamide |
Wiley ID |
1661611 |