V51
Summary
| Name: | 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide |
| Formula: | C16 H18 F4 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 378.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18F4N2O2S/c17-10-12(19)15(25(21,23)24)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16/h7-9,22H,1-6H2,(H2,21,23,24)/t7-,8+,9-,16- |
| InChIKey | InChI | 1.03 | JWHCFABOVLDALW-IGOHWLOGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(NC23CC4CC(CC(C4)C2)C3)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | C1C2CC3CC1CC(C2)(C3)Nc4c(c(c(c(c4F)F)S(=O)(=O)N)F)F |
