9C0
Summary
| Name: | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide |
| Formula: | C17 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 316.418 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3 |
| InChIKey | InChI | 1.03 | NFUZLMGYOAJDAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3 |
