Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2CC |
InChI | InChI | 1.03 | InChI=1S/C17H25Cl2N3O3S/c1-3-12-9-14(18)15(19)10-16(12)20-11-17(23)22-7-5-13(6-8-22)21-26(24,25)4-2/h9-10,13,20-21H,3-8,11H2,1-2H3 |
InChIKey | InChI | 1.03 | PGWCCYGESSQJDE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC |
SMILES | CACTVS | 3.385 | CCc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)N[S](=O)(=O)CC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl |