Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | HRWBSXDFUWMVHN-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1noc2ncc(cc12)C(=O)N[C@H](C)c3cccc(c3)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1c2cc(cnc2on1)C(=O)NC(C)c3cccc(c3)S(=O)(=O)N |