| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc4ccc(N(CCN(Cc1ccccc1)S(=O)(=O)c2ccccc2C)Cc3cncn3C)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cncc1CN(CCN(Cc2ccccc2)[S](=O)(=O)c3ccccc3C)c4ccc(cc4)C#N |
| SMILES | CACTVS | 3.341 | Cn1cncc1CN(CCN(Cc2ccccc2)[S](=O)(=O)c3ccccc3C)c4ccc(cc4)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1S(=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C28H29N5O2S/c1-23-8-6-7-11-28(23)36(34,35)33(20-25-9-4-3-5-10-25)17-16-32(21-27-19-30-22-31(27)2)26-14-12-24(18-29)13-15-26/h3-15,19,22H,16-17,20-21H2,1-2H3 |
| InChIKey | InChI | 1.03 | OERKOZXSGCATSB-UHFFFAOYSA-N |
