Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccccc1)[C@H](O)CN[S](=O)(=O)c2ccc3ccccc3c2 |
SMILES | CACTVS | 3.341 | N[CH](Cc1ccccc1)[CH](O)CN[S](=O)(=O)c2ccc3ccccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(C(CNS(=O)(=O)c2ccc3ccccc3c2)O)N |
InChI | InChI | 1.03 | InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1 |
InChIKey | InChI | 1.03 | QSSWSEQPKCCATQ-VQTJNVASSA-N |