Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C(=O)Nc1cc(cc(n1)NC(N)=O)Br)S(c2cc(c(CCOC)s2)C)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C15H18BrN5O5S2/c1-8-5-13(27-10(8)3-4-26-2)28(24,25)21-15(23)20-12-7-9(16)6-11(18-12)19-14(17)22/h5-7H,3-4H2,1-2H3,(H5,17,18,19,20,21,22,23) |
InChIKey | InChI | 1.03 | LBQKZXCDZYAHAH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(NC(N)=O)n2 |
SMILES | CACTVS | 3.385 | COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(NC(N)=O)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)N)Br |