0H9
Summary
| Name: | 2-[(4-methoxybenzyl)amino]ethanesulfonic acid |
| Formula: | C10 H15 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 245.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(4-methoxybenzyl)amino]ethanesulfonic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(4-methoxyphenyl)methylamino]ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CCNCc1ccc(OC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO4S/c1-15-10-4-2-9(3-5-10)8-11-6-7-16(12,13)14/h2-5,11H,6-8H2,1H3,(H,12,13,14) |
| InChIKey | InChI | 1.03 | AYTRHBSMOPVTHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(CNCC[S](O)(=O)=O)cc1 |
| SMILES | CACTVS | 3.370 | COc1ccc(CNCC[S](O)(=O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)CNCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)CNCCS(=O)(=O)O |
