A1IEO
Summary
| Name: | methyl 4-chloranyl-3-sulfamoyl-benzoate |
| Formula: | C8 H8 Cl N O4 S |
| Formal charge: | 0 |
| Formula weight: | 249.671 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-chloranyl-3-sulfamoyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H8ClNO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13) |
| InChIKey | InChI | 1.06 | IPQHNKPCTMMTLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl |
