Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1)c2ccc(cc2)NC(=O)NCc3cnc(N)cc3 |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O3S/c20-18-11-6-14(12-21-18)13-22-19(24)23-15-7-9-17(10-8-15)27(25,26)16-4-2-1-3-5-16/h1-12H,13H2,(H2,20,21)(H2,22,23,24) |
InChIKey | InChI | 1.03 | CYPHXCMPISHSDL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(CNC(=O)Nc2ccc(cc2)[S](=O)(=O)c3ccccc3)cn1 |
SMILES | CACTVS | 3.370 | Nc1ccc(CNC(=O)Nc2ccc(cc2)[S](=O)(=O)c3ccccc3)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N |