種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(c2c1cc(ccc1ncc2)S(C)(=O)=O)c3cc(ccc3C)O |
InChI | InChI | 1.03 | InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) |
InChIKey | InChI | 1.03 | BVHZLDLRNBQWRF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O |