A1CPS
Summary
| Name: | 2-(4-bromophenyl)-1lambda~6~,2-thiazinane-1,1-dione |
| Formula: | C10 H12 Br N O2 S |
| Formal charge: | 0 |
| Formula weight: | 290.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(4-bromophenyl)-1lambda~6~,2-thiazinane-1,1-dione |
| OpenEye OEToolkits | 3.1.0.0 | 2-(4-bromophenyl)-1,2-thiazinane 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1(=O)CCCCN1c1ccc(Br)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-15(12,13)14/h3-6H,1-2,7-8H2 |
| InChIKey | InChI | 1.06 | JERFCXIVDCLPHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)N2CCCC[S]2(=O)=O |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)N2CCCC[S]2(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1N2CCCCS2(=O)=O)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1N2CCCCS2(=O)=O)Br |
