Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CCCCc21)CO |
InChI | InChI | 1.06 | InChI=1S/C17H25NO5S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)18-10-8-17(20,12-19)9-11-18/h6-7,19-20H,2-5,8-12H2,1H3 |
InChIKey | InChI | 1.06 | HMRYHSCJKFERQE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO)CC3 |
SMILES | CACTVS | 3.385 | COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO)CC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1CCCC2)S(=O)(=O)N3CCC(CC3)(CO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1CCCC2)S(=O)(=O)N3CCC(CC3)(CO)O |