WQT
Summary
| Name: | 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone |
| Formula: | C14 H16 Cl I N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 470.71 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16ClIN2O4S/c15-7-13(19)17-8-14(9-17)10-18(5-6-22-14)23(20,21)12-3-1-11(16)2-4-12/h1-4H,5-10H2 |
| InChIKey | InChI | 1.06 | GCSBMYJFFNJXJZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(I)cc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(I)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)I |
