9Y8
Summary
| Name: | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide |
| Formula: | C16 H12 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 329.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(4-fluorophenyl)-4-methyl-1~{H}-pyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12FN3O2S/c1-20-16-14(10-6-8-11(17)9-7-10)18-19-15(16)12-4-2-3-5-13(12)23(20,21)22/h2-9H,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | OSQLSVPHQBUWFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1c2c([nH]nc2c3ccc(F)cc3)c4ccccc4[S]1(=O)=O |
| SMILES | CACTVS | 3.385 | CN1c2c([nH]nc2c3ccc(F)cc3)c4ccccc4[S]1(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O |
