Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3 |
InChIKey | InChI | 1.03 | XTRUQJBVQBUKSQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)N1CCC(CC1)Oc2ncnc3n(ncc23)c4ccc(cc4F)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | CC(C)OC(=O)N1CCC(CC1)Oc2ncnc3n(ncc23)c4ccc(cc4F)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)c4ccc(cc4F)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OC(=O)N1CCC(CC1)Oc2c3cnn(c3ncn2)c4ccc(cc4F)S(=O)(=O)C |