Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2 |
SMILES | CACTVS | 3.341 | ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22) |
InChIKey | InChI | 1.03 | QOPFTBAEAJQKSY-UHFFFAOYSA-N |