種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(N)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 |
InChI | InChI | 1.06 | InChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) |
InChIKey | InChI | 1.06 | POERGDGPHIWSKB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N |