QSW
Summary
| Name: | (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide |
| Synonyms: | BPAM549 |
| Formula: | C12 H13 F O2 S |
| Formal charge: | 0 |
| Formula weight: | 240.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13FO2S/c13-9-3-4-11-10(8-1-2-8)5-6-16(14,15)12(11)7-9/h3-4,7-8,10H,1-2,5-6H2/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | LCGAHPABZOKLPB-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2[C@H](CC[S](=O)(=O)c2c1)C3CC3 |
| SMILES | CACTVS | 3.385 | Fc1ccc2[CH](CC[S](=O)(=O)c2c1)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)S(=O)(=O)CC[C@@H]2C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)S(=O)(=O)CCC2C3CC3 |
