種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1n(nc(c1S(=O)(=O)NCc3ccc(c2c(onc2C)C)cc3)C)C |
InChI | InChI | 1.03 | InChI=1S/C17H19ClN4O3S/c1-10-15(12(3)25-21-10)14-7-5-13(6-8-14)9-19-26(23,24)16-11(2)20-22(4)17(16)18/h5-8,19H,9H2,1-4H3 |
InChIKey | InChI | 1.03 | XNTNHEPWXKNVBH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(c1Cl)[S](=O)(=O)NCc2ccc(cc2)c3c(C)onc3C |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(c1Cl)[S](=O)(=O)NCc2ccc(cc2)c3c(C)onc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C |