Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C(=O)Nc1sc2CCCCc2c1C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H14ClNO3S/c17-10-7-5-9(6-8-10)14(19)18-15-13(16(20)21)11-3-1-2-4-12(11)22-15/h5-8H,1-4H2,(H,18,19)(H,20,21) |
InChIKey | InChI | 1.03 | DUJFDTGMUKWELI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | OC(=O)c1c2CCCCc2sc1NC(=O)c3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)O)Cl |