Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC(=O)c1c(N)c(nc2c1cc(F)cc2)c3ccc(cc3)c4ccnc(c4)C)C |
InChI | InChI | 1.03 | InChI=1S/C23H19FN4O3S/c1-13-11-16(9-10-26-13)14-3-5-15(6-4-14)22-21(25)20(23(29)28-32(2,30)31)18-12-17(24)7-8-19(18)27-22/h3-12H,25H2,1-2H3,(H,28,29) |
InChIKey | InChI | 1.03 | OQQOHENQNGESNS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccn1)c2ccc(cc2)c3nc4ccc(F)cc4c(c3N)C(=O)N[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | Cc1cc(ccn1)c2ccc(cc2)c3nc4ccc(F)cc4c(c3N)C(=O)N[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccn1)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)NS(=O)(=O)C)N |