| SpectraBase Spectrum ID |
ICbU0KCz9TA |
| Name |
Methyl 4-(anilinocarbonyl)-1-{[2-(4-chlorobenzsulfonyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate |
| Alternate Name(s) |
4-[anilino(oxo)methyl]-1-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester
methyl 1-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate
methyl 1-[2-(4-chlorophenyl)sulfonylethanoylamino]-2,5-dimethyl-4-(phenylcarbamoyl)pyrrole-3-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
N(C(CS(c1ccc(cc1)Cl)(=O)=O)=O)[n]1c(c(c(C(Nc2ccccc2)=O)c1C)C(=O)OC)C |
| SPLASH |
splash10-03di-0000910000-3ef907b827f1f951ab5c |
| Source of Spectrum |
KC-57-1390-5 |
| Wiley ID |
1622892 |
![Methyl 4-(anilinocarbonyl)-1-{[2-(4-chlorobenzsulfonyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate](/api/spectrum/ICbU0KCz9TA/structure.png?h=300&w=458 "Methyl 4-(anilinocarbonyl)-1-{[2-(4-chlorobenzsulfonyl)acetyl]amino}-2,5-dimethyl-1H-pyroole-3-carboxylate")
