JAT
Summary
| Name: | 4-(2-azanylethyl)benzenesulfonic acid |
| Formula: | C8 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 201.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2-azanylethyl)benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO3S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H,10,11,12) |
| InChIKey | InChI | 1.03 | RYBFWJVHZIKGQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1ccc(cc1)[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | NCCc1ccc(cc1)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN)S(=O)(=O)O |
