SpectraBase Spectrum ID |
9JKsYsUwOYh |
Name |
Acetic acid, [(4-chlorophenyl)(phenylsulfonyl)amino]-, 2-[(E)-[2-(pentyloxy)phenyl]methylidene]hydrazide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
513.148905264 u |
Formula |
C26H28ClN3O4S |
InChI |
InChI=1S/C26H28ClN3O4S/c1-2-3-9-18-34-25-13-8-7-10-21(25)19-28-29-26(31)20-30(23-16-14-22(27)15-17-23)35(32,33)24-11-5-4-6-12-24/h4-8,10-17,19H,2-3,9,18,20H2,1H3,(H,29,31)/b28-19+ |
InChIKey |
YNKRSOIYKJDXDI-TURZUDJPSA-N |
Molecular Weight |
514.040 g/mol |
SMILES |
N(\N=C\C1=C(OCCCCC)C=CC=C1)C(CN(S(=O)(=O)C1=CC=CC=C1)C=1C=CC(=CC1)Cl)=O |