8Q3
Summary
| Name: | 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide |
| Formula: | C16 H15 Br N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 411.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-bromanyl-~{N}-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15BrN2O4S/c1-9-6-15-12(10(2)18-23-15)8-13(9)19-24(20,21)16-7-11(17)4-5-14(16)22-3/h4-8,19H,1-3H3 |
| InChIKey | InChI | 1.03 | RCOJVDOCGJOAAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2C |
| SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C |
