171
Summary
| Name: | 2-PHENYLAMINO-ETHANESULFONIC ACID |
| Formula: | C8 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 201.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(phenylamino)ethanesulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 2-phenylazanylethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCNc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)CCNc1ccccc1 |
| SMILES | CACTVS | 3.341 | O[S](=O)(=O)CCNc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NCCS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12) |
| InChIKey | InChI | 1.03 | IAVHKMVGTPXJIC-UHFFFAOYSA-N |
