種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1C(\SC(=[N@H])N1)=C(\c3oc(c2ccc(cc2)S(=O)(=O)N)cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(/c1oc(cc1)c2ccc(cc2)[S](N)(=O)=O)=C3/SC(=N)NC3=O |
SMILES | CACTVS | 3.341 | CC(c1oc(cc1)c2ccc(cc2)[S](N)(=O)=O)=C3SC(=N)NC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/1\NC(=O)/C(=C(\C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1 |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C1NC(=O)C(=C(C)c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)S1 |
InChI | InChI | 1.03 | InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8- |
InChIKey | InChI | 1.03 | AKFVRSQELXTCFW-JYRVWZFOSA-N |