Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(NS(c1cc(c(cc1)c2ccccc2)CC)(=O)=O)Nc3sc(Br)cn3 |
InChI | InChI | 1.03 | InChI=1S/C18H16BrN3O3S2/c1-2-12-10-14(8-9-15(12)13-6-4-3-5-7-13)27(24,25)22-17(23)21-18-20-11-16(19)26-18/h3-11H,2H2,1H3,(H2,20,21,22,23) |
InChIKey | InChI | 1.03 | NUXUEZJTLCTLKE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cc(ccc1c2ccccc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES | CACTVS | 3.385 | CCc1cc(ccc1c2ccccc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cc(ccc1c2ccccc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |