A1IEM
Summary
| Name: | methyl 4-methylsulfanyl-3-sulfamoyl-benzoate |
| Formula: | C9 H11 N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 261.318 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 4-methylsulfanyl-3-sulfamoyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO4S2/c1-14-9(11)6-3-4-7(15-2)8(5-6)16(10,12)13/h3-5H,1-2H3,(H2,10,12,13) |
| InChIKey | InChI | 1.06 | IYPAKUHNZKJUGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(SC)c(c1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(SC)c(c1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)SC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1ccc(c(c1)S(=O)(=O)N)SC |
