KR6
Summary
| Name: | 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide |
| Formula: | C13 H21 N O3 S Se2 |
| Formal charge: | 0 |
| Formula weight: | 429.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(2~{S})-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H21NO3SSe2/c1-2-3-8-19-9-11(15)10-20-13-6-4-12(5-7-13)18(14,16)17/h4-7,11,15H,2-3,8-10H2,1H3,(H2,14,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | OQEKMFRBPRHRCV-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[Se]C[C@H](O)C[Se]c1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[Se]C[C@@H](C[Se]c1ccc(cc1)S(=O)(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O |
