IJ2
Summary
| Name: | 2-[(furan-2-ylmethyl)amino]ethanesulfonic acid |
| Formula: | C7 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 205.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(furan-2-ylmethyl)amino]ethanesulfonic acid |
| OpenEye OEToolkits | 1.7.6 | 2-(furan-2-ylmethylamino)ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CCNCc1occc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO4S/c9-13(10,11)5-3-8-6-7-2-1-4-12-7/h1-2,4,8H,3,5-6H2,(H,9,10,11) |
| InChIKey | InChI | 1.03 | HKTRCFGIKAIPHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[S](=O)(=O)CCNCc1occc1 |
| SMILES | CACTVS | 3.370 | O[S](=O)(=O)CCNCc1occc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)CNCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(oc1)CNCCS(=O)(=O)O |
