IL5
Summary
| Name: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide |
| Formula: | C7 H6 N2 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 262.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide |
| OpenEye OEToolkits | 1.9.2 | 1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2O5S2/c8-15(11,12)4-1-2-5-6(3-4)16(13,14)9-7(5)10/h1-3H,(H,9,10)(H2,8,11,12) |
| InChIKey | InChI | 1.03 | CRSHTYPFKXPVRE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2C(=O)N[S](=O)(=O)c2c1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2C(=O)N[S](=O)(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O |
