種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3 |
InChI | InChI | 1.03 | InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3 |
InChIKey | InChI | 1.03 | LFBDSGLXLXJATE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3 |
SMILES | CACTVS | 3.385 | CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3 |