JQO
Summary
| Name: | (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide |
| Formula: | C17 H27 F N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 374.471 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-~{N}-[(2~{S})-4-methyl-1-oxidanyl-pentan-2-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1 |
| InChIKey | InChI | 1.06 | IBRVWKVLICVNRM-HOCLYGCPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H](CO)NC(=O)[C@@H](N[S](=O)(=O)c1ccc(F)cc1)C(C)C |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](CO)NC(=O)[CH](N[S](=O)(=O)c1ccc(F)cc1)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](CO)NC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(CO)NC(=O)C(C(C)C)NS(=O)(=O)c1ccc(cc1)F |
