IQ2
Summary
| Name: | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide |
| Formula: | C11 H10 N2 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 314.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-but-2-ynyl-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10N2O5S2/c1-2-3-6-13-11(14)9-5-4-8(19(12,15)16)7-10(9)20(13,17)18/h4-5,7H,6H2,1H3,(H2,12,15,16) |
| InChIKey | InChI | 1.06 | USAULQUNAYKUMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC#CCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC#CCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC#CCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N |
