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 |