Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCC(NC(=O)CCCS)CC1)COc2ccc(Cl)cc2Cl |
InChI | InChI | 1.03 | InChI=1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22) |
InChIKey | InChI | 1.03 | ZPXCEHMKUTXHRZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | SCCCC(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl |
SMILES | CACTVS | 3.385 | SCCCC(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS |