Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC |
InChI | InChI | 1.03 | InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3 |
InChIKey | InChI | 1.03 | JRNIXDMQFKHQLE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23 |
SMILES | CACTVS | 3.385 | CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F |