Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H23N3O3S/c25-28(26,17-7-2-1-3-8-17)24-14-6-11-21(24)12-15-23(16-13-21)20-22-18-9-4-5-10-19(18)27-20/h1-5,7-10H,6,11-16H2 |
InChIKey | InChI | 1.03 | KIKWLYIDCILHAP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5 |
SMILES | CACTVS | 3.385 | O=[S](=O)(N1CCCC12CCN(CC2)c3oc4ccccc4n3)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4 |