N0Q
Summary
| Name: | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
| Formula: | C24 H37 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 479.633 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1 |
| InChIKey | InChI | 1.03 | YUUSOYGEJQMOTK-IKJKNFHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[C@H]3NC[C@@H](O)[C@@H](O)[C@H]3CO |
| SMILES | CACTVS | 3.385 | CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@H](CN3)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO |
