A1IRE
Summary
| Name: | 6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide |
| Formula: | C24 H24 Cl F3 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 540.986 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-chloranyl-2-ethyl-~{N}-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H24ClF3N4O3S/c1-2-19-21(32-12-18(25)7-8-20(32)30-19)22(33)29-11-15-3-5-16(6-4-15)17-9-23(10-17)13-31(14-23)36(34,35)24(26,27)28/h3-8,12,17H,2,9-11,13-14H2,1H3,(H,29,33) |
| InChIKey | InChI | 1.06 | GIXVZWVAKMICTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)[S](=O)(=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)[S](=O)(=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)S(=O)(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)S(=O)(=O)C(F)(F)F |
