Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3 |
InChIKey | InChI | 1.03 | YUNQZQREIHWDQT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2N(C)C(=O)N(C)c2cc1N[S](=O)(=O)c3ccc(Br)cc3C |
SMILES | CACTVS | 3.385 | COc1cc2N(C)C(=O)N(C)c2cc1N[S](=O)(=O)c3ccc(Br)cc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C)Br |