XE3
Summary
| Name: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide |
| Formula: | C17 H19 F3 N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 448.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19F3N4O5S/c1-11-3-4-12(17(18,19)20)9-13(11)21-16-22-14(10-29-16)15(25)23-30(26,27)24-5-2-7-28-8-6-24/h3-4,9-10H,2,5-8H2,1H3,(H,21,22)(H,23,25) |
| InChIKey | InChI | 1.06 | AXBUEIBPZRUIGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Nc2occ(n2)C(=O)N[S](=O)(=O)N3CCCOCC3)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Nc2occ(n2)C(=O)N[S](=O)(=O)N3CCCOCC3)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Nc2nc(co2)C(=O)NS(=O)(=O)N3CCCOCC3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1Nc2nc(co2)C(=O)NS(=O)(=O)N3CCCOCC3)C(F)(F)F |
