WW3
Summary
| Name: | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide |
| Formula: | C12 H18 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 282.362 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide |
| OpenEye OEToolkits | 1.7.6 | 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(/N=N/N1CCCCCC1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H18N4O2S/c13-19(17,18)12-7-5-11(6-8-12)14-15-16-9-3-1-2-4-10-16/h5-8H,1-4,9-10H2,(H2,13,17,18)/b15-14+ |
| InChIKey | InChI | 1.03 | CIAKXEZVKQYCME-CCEZHUSRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)N=NN2CCCCCC2 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(cc1)N=NN2CCCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N=NN2CCCCCC2)S(=O)(=O)N |
