OXB
Summary
| Name: | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide |
| Formula: | C16 H26 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 326.454 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H26N2O3S/c1-12-5-6-13(2)15(9-12)16-10-18(14(3)11-21-16)7-4-8-22(17,19)20/h5-6,9,14,16H,4,7-8,10-11H2,1-3H3,(H2,17,19,20)/t14-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | RPZOSPHGNMRGDR-HOCLYGCPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CO[C@@H](CN1CCC[S](N)(=O)=O)c2cc(C)ccc2C |
| SMILES | CACTVS | 3.385 | C[CH]1CO[CH](CN1CCC[S](N)(=O)=O)c2cc(C)ccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C2CN(C(CO2)C)CCCS(=O)(=O)N)C |
