O6W
Summary
| Name: | 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide |
| Formula: | C13 H13 F3 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 318.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13F3N2O2S/c14-13(15,16)5-1-7-21(19,20)18-12-3-2-11-9-17-6-4-10(11)8-12/h2-4,6,8-9,18H,1,5,7H2 |
| InChIKey | InChI | 1.03 | MPUJMWAAXOTDHM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F |
