VD9
Summary
| Name: | 4-(propylsulfanyl)benzenesulfonamide |
| Formula: | C9 H13 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 231.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(propylsulfanyl)benzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | 4-propylsulfanylbenzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccc(SCCC)cc1)N |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | QFWWUTSCPNTDPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCSc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCSc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCSc1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCSc1ccc(cc1)S(=O)(=O)N |
