| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1c(c(cc(c1)S(CC)(=O)=O)C3=CN(C(c2nc(cc23)C(NCC)=O)=O)C)Oc4c(C)cccc4C |
| InChI | InChI | 1.03 | InChI=1S/C27H29N3O5S/c1-6-28-26(31)22-14-20-21(15-30(5)27(32)24(20)29-22)19-13-18(36(33,34)7-2)11-12-23(19)35-25-16(3)9-8-10-17(25)4/h8-15,29H,6-7H2,1-5H3,(H,28,31) |
| InChIKey | InChI | 1.03 | OPEBMJVHBSSVLY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c2c1)c3cc(ccc3Oc4c(C)cccc4C)[S](=O)(=O)CC |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1[nH]c2C(=O)N(C)C=C(c2c1)c3cc(ccc3Oc4c(C)cccc4C)[S](=O)(=O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C |
