Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1 |
InChI | InChI | 1.06 | InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24) |
InChIKey | InChI | 1.06 | HEUYOCWZUGZHBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3)S(=O)(=O)N |