A1JC2
Summary
| Name: | 2,6-bis(fluoranyl)-4-methylsulfonyl-3,5-bis[(4-oxidanylcyclohexyl)amino]benzenesulfonamide |
| Formula: | C19 H29 F2 N3 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 497.577 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2,6-bis(fluoranyl)-4-methylsulfonyl-3,5-bis[(4-oxidanylcyclohexyl)amino]benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H29F2N3O6S2/c1-31(27,28)19-16(23-10-2-6-12(25)7-3-10)14(20)18(32(22,29)30)15(21)17(19)24-11-4-8-13(26)9-5-11/h10-13,23-26H,2-9H2,1H3,(H2,22,29,30)/t10-,11-,12-,13+ |
| InChIKey | InChI | 1.06 | NWLSRXMQTUZBGB-ROTMJFINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1c(N[C@H]2CC[C@@H](O)CC2)c(F)c(c(F)c1N[C@@H]3CC[C@@H](O)CC3)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1c(N[CH]2CC[CH](O)CC2)c(F)c(c(F)c1N[CH]3CC[CH](O)CC3)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1c(c(c(c(c1NC2CCC(CC2)O)F)S(=O)(=O)N)F)NC3CCC(CC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1c(c(c(c(c1NC2CCC(CC2)O)F)S(=O)(=O)N)F)NC3CCC(CC3)O |
