Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3 |
InChIKey | InChI | 1.03 | XZSGULACVTVKML-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3cc(F)c(C)c(F)c3)ccc12 |
SMILES | CACTVS | 3.385 | CCCN1C(=O)CCc2cc(N[S](=O)(=O)Cc3cc(F)c(C)c(F)c3)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3cc(c(c(c3)F)C)F |