KW5
Summary
| Name: | 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide |
| Formula: | C17 H21 Br N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 473.341 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | ANTNWJRSPNQTEF-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)CNC3=O)ccc2Br |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C(=O)CNC3=O)ccc2Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O |
