A1IT5
Summary
| Name: | ~{N}-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-4-[(~{Z})-phenyldiazenyl]benzenesulfonamide |
| Formula: | C19 H23 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 421.467 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-4-[(~{Z})-phenyldiazenyl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H23N3O6S/c1-12-17(23)19(25)18(24)16(28-12)11-20-29(26,27)15-9-7-14(8-10-15)22-21-13-5-3-2-4-6-13/h2-10,12,16-20,23-25H,11H2,1H3/b22-21-/t12-,16+,17+,18+,19+/m0/s1 |
| InChIKey | InChI | 1.06 | FZXKDZRYIBYABH-GHJLDVCKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@H](CN[S](=O)(=O)c2ccc(cc2)N=Nc3ccccc3)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](CN[S](=O)(=O)c2ccc(cc2)N=Nc3ccccc3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CNS(=O)(=O)c2ccc(cc2)/N=N\c3ccccc3)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)CNS(=O)(=O)c2ccc(cc2)N=Nc3ccccc3)O)O)O |
