CTK
Summary
| Name: | 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid |
| Formula: | C9 H13 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 259.282 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[2-(methylsulfonylamino)ethylamino]pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O4S/c1-17(15,16)12-5-4-11-8-6-7(9(13)14)2-3-10-8/h2-3,6,12H,4-5H2,1H3,(H,10,11)(H,13,14) |
| InChIKey | InChI | 1.03 | ALTOEXIXSCQSCE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCCNc1cc(ccn1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCCNc1cc(ccn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)NCCNc1cc(ccn1)C(=O)O |
