種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(C(NO)=O)(N(C)S(c1ccc(c(c1)C)F)(=O)=O)C |
InChI | InChI | 1.03 | InChI=1S/C11H15FN2O4S/c1-7-6-9(4-5-10(7)12)19(17,18)14(3)8(2)11(15)13-16/h4-6,8,16H,1-3H3,(H,13,15)/t8-/m1/s1 |
InChIKey | InChI | 1.03 | WVQNSSTZICUBDI-MRVPVSSYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |
SMILES | CACTVS | 3.385 | C[CH](N(C)[S](=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(C)C(C)C(=O)NO |