A1IX5
Summary
| Name: | methyl 3-[(2-oxidanyl-5-sulfamoyl-phenyl)amino]propanoate |
| Formula: | C10 H14 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 274.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 3-[(2-oxidanyl-5-sulfamoyl-phenyl)amino]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2O5S/c1-17-10(14)4-5-12-8-6-7(18(11,15)16)2-3-9(8)13/h2-3,6,12-13H,4-5H2,1H3,(H2,11,15,16) |
| InChIKey | InChI | 1.06 | QIQGJOYCMRSSDH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCNc1cc(ccc1O)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)CCNc1cc(ccc1O)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CCNc1cc(ccc1O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CCNc1cc(ccc1O)S(=O)(=O)N |
