| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c3sc(c1cc(ccc1)NC2CCCCC2)c(Br)c3OCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)COc1c(Br)c(sc1C(O)=O)c2cccc(NC3CCCCC3)c2 |
| SMILES | CACTVS | 3.341 | OC(=O)COc1c(Br)c(sc1C(O)=O)c2cccc(NC3CCCCC3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C19H20BrNO5S/c20-15-16(26-10-14(22)23)18(19(24)25)27-17(15)11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h4-5,8-9,12,21H,1-3,6-7,10H2,(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | RXDVFLTWXCTCEX-UHFFFAOYSA-N |
