Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc(CO)c5 |
SMILES | CACTVS | 3.352 | C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc(CO)c5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc(c4)CO)N5CCOCC5 |
InChI | InChI | 1.03 | InChI=1S/C23H29N5O4S2/c1-34(30,31)28-7-5-26(6-8-28)15-19-14-20-21(33-19)23(27-9-11-32-12-10-27)25-22(24-20)18-4-2-3-17(13-18)16-29/h2-4,13-14,29H,5-12,15-16H2,1H3 |
InChIKey | InChI | 1.03 | UTNWCQOGZIRULH-UHFFFAOYSA-N |