A1CUB
Summary
| Name: | 4-acetylbenzene-1-sulfonamide |
| Formula: | C8 H9 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 199.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-acetylbenzene-1-sulfonamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-ethanoylbenzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(N)(=O)c1ccc(cc1)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12) |
| InChIKey | InChI | 1.06 | CSATVXJBGFVJES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)c1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)c1ccc(cc1)S(=O)(=O)N |
