Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H24BN3O4S/c26-22(27)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)30(28,29)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-27H,4,11-14,16H2 |
InChIKey | InChI | 1.03 | QFOWOOVTQLNTIX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 |
SMILES | CACTVS | 3.385 | OB(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccccc1CN2CCCN(CC2)S(=O)(=O)c3cccc4c3ccnc4)(O)O |