種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc2oc(nc2c1)c1ccc(NS(=O)(=O)c2ccc(CN)cc2)cc1)c1ccc(Cl)s1 |
InChI | InChI | 1.06 | InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)29-18-7-10-21-20(13-18)27-24(34-21)16-3-5-17(6-4-16)28-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2 |
InChIKey | InChI | 1.06 | VBUCAAQVTLWTNJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)[S](=O)(=O)Nc2ccc(cc2)c3oc4ccc(N[S](=O)(=O)c5sc(Cl)cc5)cc4n3 |
SMILES | CACTVS | 3.385 | NCc1ccc(cc1)[S](=O)(=O)Nc2ccc(cc2)c3oc4ccc(N[S](=O)(=O)c5sc(Cl)cc5)cc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN)S(=O)(=O)Nc2ccc(cc2)c3nc4cc(ccc4o3)NS(=O)(=O)c5ccc(s5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN)S(=O)(=O)Nc2ccc(cc2)c3nc4cc(ccc4o3)NS(=O)(=O)c5ccc(s5)Cl |