WV4
Summary
| Name: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
| Formula: | C9 H12 F N O2 S |
| Formal charge: | 0 |
| Formula weight: | 217.26 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
| OpenEye OEToolkits | 2.0.7 | ~{N}-ethyl-2-fluoranyl-4-methylsulfonyl-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(NCC)c(cc1S(C)(=O)=O)F |
| InChI | InChI | 1.03 | InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | UTXGKZQFKXUXRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNc1ccc(cc1F)[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CCNc1ccc(cc1F)[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNc1ccc(cc1F)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNc1ccc(cc1F)S(=O)(=O)C |
