| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCC(CCN)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)COc4cc(C(=[N@H])N)ccc4 |
| InChI | InChI | 1.03 | InChI=1S/C27H33N5O4S/c28-13-10-19-11-14-32(15-12-19)27(33)25(18-36-23-7-3-6-22(16-23)26(29)30)31-37(34,35)24-9-8-20-4-1-2-5-21(20)17-24/h1-9,16-17,19,25,31H,10-15,18,28H2,(H3,29,30)/t25-/m0/s1 |
| InChIKey | InChI | 1.03 | LNOODAVJDWKXFO-VWLOTQADSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC[C@H]1CCN(CC1)C(=O)[C@H](COc2cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3 |
| SMILES | CACTVS | 3.385 | NCC[CH]1CCN(CC1)C(=O)[CH](COc2cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2cc(ccc2c1)S(=O)(=O)NC(COc3cccc(c3)C(=N)N)C(=O)N4CCC(CC4)CCN |
