Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N1CCOCC1)C(N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)CC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](N1CC[C@H](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4 |
SMILES | CACTVS | 3.341 | C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1 |
InChIKey | InChI | 1.03 | ICLOZQFWTRAYPX-LIRRHRJNSA-N |