8PU
Summary
| Name: | 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
| Formula: | C15 H13 Br N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 413.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-bromanyl-2-methoxy-~{N}-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13BrN2O5S/c1-8-10-6-11(12(19)7-14(10)23-17-8)18-24(20,21)15-5-9(16)3-4-13(15)22-2/h3-7,18-19H,1-2H3 |
| InChIKey | InChI | 1.03 | DNDCWZOTYLDTCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2O |
| SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br |
