Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H18N4O3S/c1-14-13-30-21-4-3-15(9-17(14)21)18-10-16(11-19-23(18)26-8-7-25-19)27-20-12-24-6-5-22(20)31(2,28)29/h3-13,27H,1-2H3 |
InChIKey | InChI | 1.03 | OTFZEDIHBPYVKA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35 |
SMILES | CACTVS | 3.385 | Cc1coc2ccc(cc12)c3cc(Nc4cnccc4[S](C)(=O)=O)cc5nccnc35 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C |