Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(nc(NC(=O)NS(c1cc(c(CCOC)s1)C)(=O)=O)cc(c2)Br)N3CCOCC3 |
InChI | InChI | 1.03 | InChI=1S/C18H23BrN4O5S2/c1-12-9-17(29-14(12)3-6-27-2)30(25,26)22-18(24)21-15-10-13(19)11-16(20-15)23-4-7-28-8-5-23/h9-11H,3-8H2,1-2H3,(H2,20,21,22,24) |
InChIKey | InChI | 1.03 | NBRRDKKQCMJFFK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(n2)N3CCOCC3 |
SMILES | CACTVS | 3.385 | COCCc1sc(cc1C)[S](=O)(=O)NC(=O)Nc2cc(Br)cc(n2)N3CCOCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)N3CCOCC3)Br |