Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N1C(C(=O)OCC)CCCC1)Cc2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C15H21NO4S/c1-2-20-15(17)14-10-6-7-11-16(14)21(18,19)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | LVCFWVYKKRGZFQ-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)[C@@H]1CCCCN1[S](=O)(=O)Cc2ccccc2 |
SMILES | CACTVS | 3.370 | CCOC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)C1CCCCN1S(=O)(=O)Cc2ccccc2 |