| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N1C(SO)=C(C(=CC1=O)Cc3c2ccccc2ccc3)C4CC4)Cc5ccccc5 |
| SMILES_CANONICAL | CACTVS | 3.352 | OSC1=C(C2CC2)C(=CC(=O)N1[C@H](Cc3ccccc3)C(O)=O)Cc4cccc5ccccc45 |
| SMILES | CACTVS | 3.352 | OSC1=C(C2CC2)C(=CC(=O)N1[CH](Cc3ccccc3)C(O)=O)Cc4cccc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CC(C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5 |
| InChI | InChI | 1.03 | InChI=1S/C28H25NO4S/c30-25-17-22(16-21-11-6-10-19-9-4-5-12-23(19)21)26(20-13-14-20)27(34-33)29(25)24(28(31)32)15-18-7-2-1-3-8-18/h1-12,17,20,24,33H,13-16H2,(H,31,32)/t24-/m0/s1 |
| InChIKey | InChI | 1.03 | RDAFPBNHIKAVPQ-DEOSSOPVSA-N |
