STB
Summary
| Name: | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE |
| Formula: | C12 H19 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 317.428 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-sulfamoyl-N-{4-[(sulfanylmethyl)amino]butyl}benzamide |
| OpenEye OEToolkits | 1.5.0 | 4-sulfamoyl-N-[4-(sulfanylmethylamino)butyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c1ccc(C(=O)NCCCCNCS)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCCCCNCS |
| SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCCCCNCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H19N3O3S2/c13-20(17,18)11-5-3-10(4-6-11)12(16)15-8-2-1-7-14-9-19/h3-6,14,19H,1-2,7-9H2,(H,15,16)(H2,13,17,18) |
| InChIKey | InChI | 1.03 | XLYYIFIRODREFK-UHFFFAOYSA-N |
