Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(n2c1c(c(Cl)ccc1c(c2C)Sc3cccc(c3F)C(O)=O)F)C(N5CC4(CC4)c6c5cccc6)=O |
InChI | InChI | 1.03 | InChI=1S/C28H21ClF2N2O3S/c1-15-26(37-21-8-4-5-16(23(21)30)27(35)36)17-9-10-19(29)24(31)25(17)32(15)13-22(34)33-14-28(11-12-28)18-6-2-3-7-20(18)33/h2-10H,11-14H2,1H3,(H,35,36) |
InChIKey | InChI | 1.03 | YFALJJNRFPFPRE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(CC(=O)N2CC3(CC3)c4ccccc24)c5c(F)c(Cl)ccc5c1Sc6cccc(C(O)=O)c6F |
SMILES | CACTVS | 3.385 | Cc1n(CC(=O)N2CC3(CC3)c4ccccc24)c5c(F)c(Cl)ccc5c1Sc6cccc(C(O)=O)c6F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O |