AG4
Summary
| Name: | N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide |
| Formula: | C16 H19 N3 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 381.47 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O4S2/c1-23-9-5-8-18-15(20)14-10-13(25(17,21)22)11-19-16(14)24-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,20)(H2,17,21,22) |
| InChIKey | InChI | 1.03 | YFGZGDDAWQULRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCCNC(=O)c1cc(cnc1Sc2ccccc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | COCCCNC(=O)c1cc(cnc1Sc2ccccc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.5 | COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N |
