種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4 |
InChI | InChI | 1.03 | InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19) |
InChIKey | InChI | 1.03 | LONXCUOJVJLTIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)c4ccccc14 |
SMILES | CACTVS | 3.385 | O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)c4ccccc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4 |