A1JKV
Summary
| Name: | (2~{R},4~{R})-4-ethyl-~{N}-[(2~{S})-4-methylsulfonylbutan-2-yl]-2-phenyl-piperidine-1-carboxamide |
| Formula: | C19 H30 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 366.518 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-4-ethyl-~{N}-[(2~{S})-4-methylsulfonylbutan-2-yl]-2-phenyl-piperidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H30N2O3S/c1-4-16-10-12-21(18(14-16)17-8-6-5-7-9-17)19(22)20-15(2)11-13-25(3,23)24/h5-9,15-16,18H,4,10-14H2,1-3H3,(H,20,22)/t15-,16+,18+/m0/s1 |
| InChIKey | InChI | 1.06 | UAXDFNAZYUYRQQ-LZLYRXPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H]1CCN([C@H](C1)c2ccccc2)C(=O)N[C@@H](C)CC[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CC[CH]1CCN([CH](C1)c2ccccc2)C(=O)N[CH](C)CC[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H]1CCN([C@H](C1)c2ccccc2)C(=O)N[C@@H](C)CCS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1CCN(C(C1)c2ccccc2)C(=O)NC(C)CCS(=O)(=O)C |
