UVK
Summary
| Name: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
| Formula: | C15 H12 F N O4 S |
| Formal charge: | 0 |
| Formula weight: | 321.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2 |
| InChIKey | InChI | 1.03 | NKYSMAFCOBNWNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES | CACTVS | 3.385 | Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2cc(cc3)F |
