Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(cc1)O)c2cc(c(nc2)N)c3ccc(cc3)S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20) |
InChIKey | InChI | 1.03 | XFEKSSMJINNJSX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N)c3ccc(cc3)O |