Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(C(=O)NCc1ccccc1)cc3CCN(S(c2ccccc2F)(=O)=O)Cc3n4Cc5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C28H26FN3O3S/c29-24-13-7-8-14-27(24)36(34,35)31-16-15-23-17-25(28(33)30-18-21-9-3-1-4-10-21)32(26(23)20-31)19-22-11-5-2-6-12-22/h1-14,17H,15-16,18-20H2,(H,30,33) |
InChIKey | InChI | 1.03 | RHCKOZJXWTXZPZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1[S](=O)(=O)N2CCc3cc(n(Cc4ccccc4)c3C2)C(=O)NCc5ccccc5 |
SMILES | CACTVS | 3.385 | Fc1ccccc1[S](=O)(=O)N2CCc3cc(n(Cc4ccccc4)c3C2)C(=O)NCc5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2cc3c(n2Cc4ccccc4)CN(CC3)S(=O)(=O)c5ccccc5F |