JKI
Summary
| Name: | 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide |
| Formula: | C17 H13 Br N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 389.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H13BrN2O2S/c18-14-7-9-16(10-8-14)23(21,22)20-15-5-3-4-13(12-15)17-6-1-2-11-19-17/h1-12,20H |
| InChIKey | InChI | 1.06 | FVCLFXCNULYHND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)c3ccccn3 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2cccc(c2)NS(=O)(=O)c3ccc(cc3)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2cccc(c2)NS(=O)(=O)c3ccc(cc3)Br |
