| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=O)c1ccc(cc1OC2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C24H24BrN3O5S2/c1-26-23(29)18-8-7-15(17-5-3-4-6-19(17)27-35(2,31)32)13-20(18)33-16-11-12-28(14-16)24(30)21-9-10-22(25)34-21/h3-10,13,16,27H,11-12,14H2,1-2H3,(H,26,29)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | YDBFEELXWGATBW-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3sc(Br)cc3)c4ccccc4N[S](C)(=O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)c1ccc(cc1O[CH]2CCN(C2)C(=O)c3sc(Br)cc3)c4ccccc4N[S](C)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1ccc(cc1OC2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C |
