ZFI
Summary
| Name: | N-[2-(methanesulfonyl)phenyl]acetamide |
| Formula: | C9 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 213.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(methanesulfonyl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methylsulfonylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(C)(=O)c1ccccc1NC(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11) |
| InChIKey | InChI | 1.06 | NGWCPCSZLLJKPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccccc1[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccccc1[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccccc1S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccccc1S(=O)(=O)C |
