Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C3C(N(c2cccc(NS(=O)(=O)c1cccc(Br)c1)c2)C=C3)=O |
InChI | InChI | 1.03 | InChI=1S/C16H13BrN2O3S/c17-12-4-1-7-15(10-12)23(21,22)18-13-5-2-6-14(11-13)19-9-3-8-16(19)20/h1-7,9-11,18H,8H2 |
InChIKey | InChI | 1.03 | DJIRSBLLCJUATA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O |
SMILES | CACTVS | 3.385 | Brc1cccc(c1)[S](=O)(=O)Nc2cccc(c2)N3C=CCC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br |