6SU
Summary
| Name: | methyl 3-(methylsulfonylamino)benzoate |
| Formula: | C9 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 229.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | methyl 3-(methylsulfonylamino)benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO4S/c1-14-9(11)7-4-3-5-8(6-7)10-15(2,12)13/h3-6,10H,1-2H3 |
| InChIKey | InChI | 1.03 | UQIOKJVVJMHUTP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc(N[S](C)(=O)=O)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cccc(N[S](C)(=O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COC(=O)c1cccc(c1)NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | COC(=O)c1cccc(c1)NS(=O)(=O)C |
