603
Summary
| Name: | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide |
| Formula: | C26 H25 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 523.558 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26+/m1/s1 |
| InChIKey | InChI | 1.03 | MPZFVCYRXPGUGA-YLLXKFEGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@H](CN[S](=O)(=O)c2ccc(cc2)C#N)[C@@H](O)[C@H](O)[C@H]1NC(=O)c3cccc(c3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | O[CH]1O[CH](CN[S](=O)(=O)c2ccc(cc2)C#N)[CH](O)[CH](O)[CH]1NC(=O)c3cccc(c3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2cccc(c2)C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2cccc(c2)C(=O)NC3C(C(C(OC3O)CNS(=O)(=O)c4ccc(cc4)C#N)O)O |
