TQJ
Summary
| Name: | N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE |
| Formula: | C19 H25 Br N6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 513.409 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | N-[(2S)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-N-hydroxy-methanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | ON(C=O)[C@@H](CCCc1ncccn1)C[S](=O)(=O)N2CCN(CC2)c3ccc(Br)cn3 |
| SMILES | CACTVS | 3.352 | ON(C=O)[CH](CCCc1ncccn1)C[S](=O)(=O)N2CCN(CC2)c3ccc(Br)cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cnc(nc1)CCC[C@@H](CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cnc(nc1)CCCC(CS(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H25BrN6O4S/c20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | KOKUKBSLFSEGAT-KRWDZBQOSA-N |
