種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N1C(=O)C(=O)Nc2c1ccc(c2)S(=O)(=O)N(C)c3cc(ccc3)OC |
InChI | InChI | 1.03 | InChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21) |
InChIKey | InChI | 1.03 | ZYUVUTFKMHIMBV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)N(C)[S](=O)(=O)c2ccc3NC(=O)C(=O)Nc3c2 |
SMILES | CACTVS | 3.385 | COc1cccc(c1)N(C)[S](=O)(=O)c2ccc3NC(=O)C(=O)Nc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3 |
SMILES | OpenEye OEToolkits | 2.0.4 | CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3 |