| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc3ccc1c(C(=C(C(=O)N1)CCC)S(=O)C2CCCCC2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)/t23-/m1/s1 |
| InChIKey | InChI | 1.03 | QRBUGQMJMFAHKS-HSZRJFAPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=C(c2cc(Cl)ccc2NC1=O)[S@](=O)C3CCCCC3 |
| SMILES | CACTVS | 3.385 | CCCC1=C(c2cc(Cl)ccc2NC1=O)[S](=O)C3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CCCC1=C(c2cc(ccc2NC1=O)Cl)[S@](=O)C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCCC1=C(c2cc(ccc2NC1=O)Cl)S(=O)C3CCCCC3 |
