Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H26ClN3O2S/c1-28-14-12-25(13-15-28)20-4-2-3-5-21(20)29(23(25)17-6-8-18(26)9-7-17)16-19-10-11-22(32-19)24(30)27-31/h2-11,23,31H,12-16H2,1H3,(H,27,30)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | DLQYRYFSBDRUBH-QHCPKHFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCC2(CC1)[C@@H](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5ccc(Cl)cc5 |
SMILES | CACTVS | 3.385 | CN1CCC2(CC1)[CH](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5ccc(Cl)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCC2(CC1)c3ccccc3N([C@H]2c4ccc(cc4)Cl)Cc5ccc(s5)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCC2(CC1)c3ccccc3N(C2c4ccc(cc4)Cl)Cc5ccc(s5)C(=O)NO |