Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc2cc(nc2cc1)S(=O)(=O)N5CCN(C(=O)c4sc3ccc[n+]([O-])c3c4)CC5 |
SMILES_CANONICAL | CACTVS | 3.341 | [O-][n+]1cccc2sc(cc12)C(=O)N3CCN(CC3)[S](=O)(=O)c4[nH]c5ccc(Cl)cc5c4 |
SMILES | CACTVS | 3.341 | [O-][n+]1cccc2sc(cc12)C(=O)N3CCN(CC3)[S](=O)(=O)c4[nH]c5ccc(Cl)cc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-] |
InChI | InChI | 1.03 | InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2 |
InChIKey | InChI | 1.03 | DHDQMXPAANQKDC-UHFFFAOYSA-N |