種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | NCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl |
InChI | InChI | 1.03 | InChI=1S/C17H23ClN2O2S/c18-16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)20-13-5-3-1-2-4-12-19/h6-11,20H,1-5,12-13,19H2 |
InChIKey | InChI | 1.03 | YQJOLFJTZRVABX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 |
SMILES | CACTVS | 3.385 | NCCCCCCCN[S](=O)(=O)c1cccc2c(Cl)cccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCN |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCN |