種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=S3(=O)NC(=O)CN3c2c(OC)ccc(c1ccccc1)c2 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1N2CC(=O)N[S]2(=O)=O)c3ccccc3 |
SMILES | CACTVS | 3.341 | COc1ccc(cc1N2CC(=O)N[S]2(=O)=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18) |
InChIKey | InChI | 1.03 | IGXKSKWHHHYBFM-UHFFFAOYSA-N |