8QC
Summary
| Name: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide |
| Formula: | C16 H16 Br N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 426.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-bromanyl-2-methoxy-~{N}-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16BrN3O4S/c1-9-11-7-13(12(18-2)8-15(11)24-19-9)20-25(21,22)16-6-10(17)4-5-14(16)23-3/h4-8,18,20H,1-3H3 |
| InChIKey | InChI | 1.03 | DVWBDPNOOAMAKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC |
| SMILES | CACTVS | 3.385 | CNc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br |
