Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1 |
InChIKey | InChI | 1.03 | CRDLMFHMOZIJOB-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[C@@H](O)C4 |
SMILES | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCC[C@H](C4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)N4CCCC(C4)O |