Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H24N4O4S/c1-21(2)12-13-5-6-17-16(9-13)22(7-8-26-17)14-10-15(20-27(4,23)24)18(25-3)19-11-14/h5-6,9-11,20H,7-8,12H2,1-4H3 |
InChIKey | InChI | 1.03 | SAHCNYAOSGATSF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(cc1N[S](C)(=O)=O)N2CCOc3ccc(CN(C)C)cc23 |
SMILES | CACTVS | 3.385 | COc1ncc(cc1N[S](C)(=O)=O)N2CCOc3ccc(CN(C)C)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C |