A1EQR
Summary
| Name: | ~{N}-cycloheptyl-4-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-1~{H}-imidazole-2-carboxamide |
| Formula: | C19 H22 F N5 O5 S |
| Formal charge: | 0 |
| Formula weight: | 451.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cycloheptyl-4-[3-fluoranyl-5-oxidanyl-4-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]phenyl]-1~{H}-imidazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H22FN5O5S/c20-13-7-11(8-15(26)17(13)25-10-16(27)24-31(25,29)30)14-9-21-18(23-14)19(28)22-12-5-3-1-2-4-6-12/h7-9,12,26H,1-6,10H2,(H,21,23)(H,22,28)(H,24,27) |
| InChIKey | InChI | 1.06 | RYAIQNKSHNFQJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O)c3c[nH]c(n3)C(=O)NC4CCCCCC4 |
| SMILES | CACTVS | 3.385 | Oc1cc(cc(F)c1N2CC(=O)N[S]2(=O)=O)c3c[nH]c(n3)C(=O)NC4CCCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3c[nH]c(n3)C(=O)NC4CCCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1O)N2CC(=O)NS2(=O)=O)F)c3c[nH]c(n3)C(=O)NC4CCCCCC4 |
