種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)CCCC)C |
InChI | InChI | 1.03 | InChI=1S/C15H20N4O4S/c1-3-4-10-19-13(16)12(14(20)17-15(19)21)18(2)24(22,23)11-8-6-5-7-9-11/h5-9H,3-4,10,16H2,1-2H3,(H,17,20,21) |
InChIKey | InChI | 1.03 | BDLSZMGNNJOQJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=O)(=O)c2ccccc2 |
SMILES | CACTVS | 3.385 | CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=O)(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N |