IO6
Summary
| Name: | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide |
| Formula: | C12 H16 N2 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 332.396 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,1,3-tris(oxidanylidene)-2-pentyl-1,2-benzothiazole-6-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2O5S2/c1-2-3-4-7-14-12(15)10-6-5-9(20(13,16)17)8-11(10)21(14,18)19/h5-6,8H,2-4,7H2,1H3,(H2,13,16,17) |
| InChIKey | InChI | 1.06 | QOTXJOQNXMTXOU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCCCCN1C(=O)c2ccc(cc2[S]1(=O)=O)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCN1C(=O)c2ccc(cc2S1(=O)=O)S(=O)(=O)N |
