Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19H,1-4H3/t19-/m1/s1 |
InChIKey | InChI | 1.03 | JYURKDGMICGTJM-LJQANCHMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)ON([C@H](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
SMILES | CACTVS | 3.385 | CC(C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2 |