A8D
Summary
| Name: | 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide |
| Formula: | C11 H12 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 268.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 5-methoxy-N-methylsulfonyl-1H-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc2nc(cc2c1)C(=O)NS(C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O4S/c1-17-8-3-4-9-7(5-8)6-10(12-9)11(14)13-18(2,15)16/h3-6,12H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.03 | DXGOZIMONBKDBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[nH]c(cc2c1)C(=O)N[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc2[nH]c(cc2c1)C(=O)N[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C |
