LZX
Summary
| Name: | (2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide |
| Formula: | C16 H19 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 333.405 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-(methylsulfonylamino)-2-phenyl-~{N}-pyridin-3-yl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccnc1)C(CCNS(C)(=O)=O)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C16H19N3O3S/c1-23(21,22)18-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-17-12-14/h2-8,10,12,15,18H,9,11H2,1H3,(H,19,20)/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | FZUTWGQMCFORPQ-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NCC[C@@H](C(=O)Nc1cccnc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NCC[CH](C(=O)Nc1cccnc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCC[C@H](c1ccccc1)C(=O)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)NCCC(c1ccccc1)C(=O)Nc2cccnc2 |
