Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H20FN3O3S/c1-15-3-2-4-22(26-15)23-20(14-25-27-23)17-7-10-21(24)19(13-17)16-5-8-18(9-6-16)31(29,30)12-11-28/h2-10,13-14,28H,11-12H2,1H3,(H,25,27) |
InChIKey | InChI | 1.03 | IFQCNLVDAWIXAR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(n1)c2n[nH]cc2c3ccc(F)c(c3)c4ccc(cc4)[S](=O)(=O)CCO |
SMILES | CACTVS | 3.385 | Cc1cccc(n1)c2n[nH]cc2c3ccc(F)c(c3)c4ccc(cc4)[S](=O)(=O)CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4ccc(cc4)S(=O)(=O)CCO)F |