A1MDU
Summary
| Name: | 2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide |
| Formula: | C21 H20 N4 O6 S |
| Formal charge: | 0 |
| Formula weight: | 456.472 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H20N4O6S/c1-28-15-5-3-6-16(29-2)20(15)32(26,27)24-21-18-17(31-23-21)11-13(12-25-9-4-8-22-25)14-7-10-30-19(14)18/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,23,24) |
| InChIKey | InChI | 1.06 | BYICTVGRFYUHAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(OC)c1[S](=O)(=O)Nc2noc3cc(Cn4cccn4)c5CCOc5c23 |
| SMILES | CACTVS | 3.385 | COc1cccc(OC)c1[S](=O)(=O)Nc2noc3cc(Cn4cccn4)c5CCOc5c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCC4)Cn5cccn5)on2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCC4)Cn5cccn5)on2)OC |
