種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1cc(c(cc1NS(CC)(O)O)C2=CN(C(C=C2OCC)=O)C)Oc3ccc(cc3F)F |
InChI | InChI | 1.03 | InChI=1S/C22H24F2N2O5S/c1-4-30-21-12-22(27)26(3)13-17(21)16-11-15(25-32(28,29)5-2)7-9-19(16)31-20-8-6-14(23)10-18(20)24/h6-13,25,28-29H,4-5H2,1-3H3 |
InChIKey | InChI | 1.03 | JZIKIYOQVHKWKM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC1=CC(=O)N(C)C=C1c2cc(N[S](O)(O)CC)ccc2Oc3ccc(F)cc3F |
SMILES | CACTVS | 3.385 | CCOC1=CC(=O)N(C)C=C1c2cc(N[S](O)(O)CC)ccc2Oc3ccc(F)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C |