HKT
Summary
| Name: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine |
| Synonyms: | Vonoprazan |
| Formula: | C17 H16 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 345.391 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3 |
| InChIKey | InChI | 1.03 | BFDBKMOZYNOTPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3 |
| SMILES | CACTVS | 3.385 | CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F |
