| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(c1sccn1)C(=O)C(CC2CCCCC2)N3C(C=C(C=C3)S(C4CCCC4)(=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | AIIAMUOQMJYEJH-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1sccn1)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)[S](=O)(=O)C4CCCC4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1sccn1)[CH](CC2CCCCC2)N3C=CC(=CC3=O)[S](=O)(=O)C4CCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1csc(n1)NC(=O)C(CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 |
