WQN
Summary
| Name: | 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone |
| Formula: | C14 H16 Br Cl N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 423.71 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16BrClN2O4S/c15-11-1-3-12(4-2-11)23(20,21)18-5-6-22-14(10-18)8-17(9-14)13(19)7-16/h1-4H,5-10H2 |
| InChIKey | InChI | 1.06 | JYJPDISSKQJQGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(Br)cc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)Br |
