種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | OQAFDLPAPSSOHY-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)N(C[C@H](O)Cn1c2ccccc2c3ccccc13)Cc4occc4 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc4occc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N(Cc1ccco1)C[C@@H](Cn2c3ccccc3c4c2cccc4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)N(Cc1ccco1)CC(Cn2c3ccccc3c4c2cccc4)O |