| SpectraBase Spectrum ID |
nyQw69lrOI |
| Name |
Methyl 4-(anilinocarbonyl)-1-{[2-(4-chlorobenzsulfonyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.091784308 u |
| Formula |
C23H22ClN3O6S |
| InChI |
InChI=1S/C23H22ClN3O6S/c1-14-20(22(29)25-17-7-5-4-6-8-17)21(23(30)33-3)15(2)27(14)26-19(28)13-34(31,32)18-11-9-16(24)10-12-18/h4-12H,13H2,1-3H3,(H,25,29)(H,26,28) |
| InChIKey |
WRISGUFOVJFLIQ-UHFFFAOYSA-N |
| Molecular Weight |
503.957 g/mol |
| SMILES |
C=1(C(=C(C)N(C1C)NC(CS(C1=CC=C(C=C1)Cl)(=O)=O)=O)C(=O)OC)C(NC1=CC=CC=C1)=O |
![Methyl 4-(anilinocarbonyl)-1-{[2-(4-chlorobenzsulfonyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate](/api/spectrum/nyQw69lrOI/structure.png?h=300&w=458 "Methyl 4-(anilinocarbonyl)-1-{[2-(4-chlorobenzsulfonyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate")
