3O5
Summary
| Name: | 4-(4-sulfamoyl-phenoxy)-butylammonium |
| Synonyms: | 4-(4-aminobutoxy)benzenesulfonamide |
| Formula: | C10 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 244.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-aminobutoxy)benzenesulfonamide |
| OpenEye OEToolkits | 1.7.6 | 4-(4-azanylbutoxy)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(OCCCCN)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | FRXJBOBSXLTMJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCOc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | NCCCCOc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1OCCCCN)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1OCCCCN)S(=O)(=O)N |
