Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2c(F)c(F)c(SCCO)c(F)c2NC1CCCCCCC1 |
InChI | InChI | 1.03 | InChI=1S/C16H23F3N2O3S2/c17-11-12(18)16(26(20,23)24)14(13(19)15(11)25-9-8-22)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,23,24) |
InChIKey | InChI | 1.03 | ZUTOCUUMVDYVHW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC2CCCCCCC2 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC2CCCCCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F |
SMILES | OpenEye OEToolkits | 1.7.6 | C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F |