BSA
Summary
| Name: | 2-(BENZOYLAMINO)ETHANESULFONIC ACID |
| Formula: | C9 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 229.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(phenylcarbonyl)amino]ethanesulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 2-benzamidoethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCCS(=O)(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)CCNC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | O[S](=O)(=O)CCNC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NCCS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14) |
| InChIKey | InChI | 1.03 | ABUKAMCDAHVPSR-UHFFFAOYSA-N |
