5RD
Summary
| Name: | 4-(butylaminomethyl)benzenesulfonamide |
| Formula: | C11 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 242.338 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 4-(butylaminomethyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O2S/c1-2-3-8-13-9-10-4-6-11(7-5-10)16(12,14)15/h4-7,13H,2-3,8-9H2,1H3,(H2,12,14,15) |
| InChIKey | InChI | 1.03 | RHYZDWOMWDFYOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCCNCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCNCc1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCCNCc1ccc(cc1)S(=O)(=O)N |
