Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(C(NS(c1ccc2c(cnc(N\C(=N)N)c2c1)Cl)(=O)=O)C(C)C)N3CCOCC3 |
InChI | InChI | 1.03 | InChI=1S/C19H25ClN6O4S/c1-11(2)16(18(27)26-5-7-30-8-6-26)25-31(28,29)12-3-4-13-14(9-12)17(24-19(21)22)23-10-15(13)20/h3-4,9-11,16,25H,5-8H2,1-2H3,(H4,21,22,23,24)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | JKDPCBXPJMGTJT-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(=O)N3CCOCC3 |
SMILES | CACTVS | 3.385 | CC(C)[CH](N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(=O)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)N1CCOCC1)NS(=O)(=O)c2ccc3c(c2)c(ncc3Cl)NC(=N)N |