4JE
Summary
| Name: | 4-propylbenzenesulfonamide |
| Formula: | C9 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 199.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-propylbenzenesulfonamide |
| OpenEye OEToolkits | 1.9.2 | 4-propylbenzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cc1ccc(cc1)S(=O)(=O)N)C |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | CICCMHNIYTXWRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCc1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCc1ccc(cc1)S(=O)(=O)N |
