Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(OC)cc1)N3C(C(=O)NO)CN(C(=O)OCc2ccccc2)CC3 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3 |
SMILES | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)N2CCN(C[CH]2C(=O)NO)C(=O)OCc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O7S/c1-29-16-7-9-17(10-8-16)31(27,28)23-12-11-22(13-18(23)19(24)21-26)20(25)30-14-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,24)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | DNGGPLKVDUPXFN-GOSISDBHSA-N |