8PX
Summary
| Name: | 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
| Formula: | C16 H15 Br N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 427.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-bromanyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3 |
| InChIKey | InChI | 1.03 | KVGNGFGTOSOVPB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC |
| SMILES | CACTVS | 3.385 | COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br |
