Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)S(=O)(=O)N2C3C(=O)N(CC(OCCOC)C2CCC3)CCOC |
InChI | InChI | 1.03 | InChI=1S/C20H28Cl2N2O6S/c1-28-7-6-23-13-19(30-9-8-29-2)17-4-3-5-18(20(23)25)24(17)31(26,27)16-11-14(21)10-15(22)12-16/h10-12,17-19H,3-9,13H2,1-2H3/t17-,18+,19+/m1/s1 |
InChIKey | InChI | 1.03 | NVEGGBQTNWZDFS-QYZOEREBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCO[C@H]1CN(CCOC)C(=O)[C@@H]2CCC[C@H]1N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3 |
SMILES | CACTVS | 3.385 | COCCO[CH]1CN(CCOC)C(=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC |
SMILES | OpenEye OEToolkits | 1.9.2 | COCCN1CC(C2CCCC(C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC |