| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H35N3O4S/c1-20(2)17-21-7-9-23(10-8-21)35(32,33)29-13-16-30-14-11-22(12-15-30)19-34-27(31)25-18-28-26-6-4-3-5-24(25)26/h3-10,18,20,22,28-29H,11-17,19H2,1-2H3 |
| InChIKey | InChI | 1.06 | FLRZZCCPQCKZJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cc1ccc(cc1)[S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4ccccc34 |
| SMILES | CACTVS | 3.385 | CC(C)Cc1ccc(cc1)[S](=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)COC(=O)c3c[nH]c4c3cccc4 |
