Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(NCC(c2ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CN[S](C)(=O)=O)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CN[S](C)(=O)=O |
SMILES | CACTVS | 3.341 | C[CH](CN[S](C)(=O)=O)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)C(C)CNS(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1 |
InChIKey | InChI | 1.03 | ZESUARCHWPARIF-HOTGVXAUSA-N |