| SpectraBase Spectrum ID |
4DG9XudlDdW |
| Name |
3,4-Dichloro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.000382481 u |
| Formula |
C17H13Cl2N3O4S |
| InChI |
InChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)11-2-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,23)(H,21,22) |
| InChIKey |
DRRCQQFLVIBMJI-UHFFFAOYSA-N |
| Molecular Weight |
426.274 g/mol |
| SMILES |
N(S(C=1C=CC(NC(C=2C=C(Cl)C(=CC2)Cl)=O)=CC1)(=O)=O)C1=NOC(=C1)C |