A1IDV
Summary
| Name: | 3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide |
| Formula: | C20 H29 F3 N2 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 482.58 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[(1~{R},4~{Z})-cyclododec-4-en-1-yl]amino]-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H29F3N2O4S2/c1-2-30(26,27)20-16(22)15(21)19(31(24,28)29)17(23)18(20)25-14-12-10-8-6-4-3-5-7-9-11-13-14/h6,8,14,25H,2-5,7,9-13H2,1H3,(H2,24,28,29)/b8-6-/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | BRPUBDQEZQYBOW-QPBFKRLHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1N[C@@H]2CCCCCCC\C=C/CC2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)c1c(F)c(F)c(c(F)c1N[CH]2CCCCCCCC=CCC2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)N[C@@H]2CCCCCCC/C=C\CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)NC2CCCCCCCC=CCC2 |
