Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C13=CN(C(=O)c2c1c(cn2)CN(c4c3cc(CS(C)(=O)=O)c(c4)C(=O)OC)c5c(F)cc(cn5)F)C |
InChI | InChI | 1.03 | InChI=1S/C24H20F2N4O5S/c1-29-10-17-16-4-12(11-36(3,33)34)15(24(32)35-2)6-19(16)30(22-18(26)5-14(25)8-28-22)9-13-7-27-21(20(13)17)23(29)31/h4-8,10,27H,9,11H2,1-3H3 |
InChIKey | InChI | 1.03 | JWMPEBHROPXGMV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cc2N(Cc3c[nH]c4C(=O)N(C)C=C(c2cc1C[S](C)(=O)=O)c34)c5ncc(F)cc5F |
SMILES | CACTVS | 3.385 | COC(=O)c1cc2N(Cc3c[nH]c4C(=O)N(C)C=C(c2cc1C[S](C)(=O)=O)c34)c5ncc(F)cc5F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C2c3cc(c(cc3N(Cc4c2c([nH]c4)C1=O)c5c(cc(cn5)F)F)C(=O)OC)CS(=O)(=O)C |