Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C16H25FN2O4S/c1-10(2)9-19(15(11(3)4)16(20)18-21)24(22,23)13-6-7-14(17)12(5)8-13/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | XENBIBQWLKQPNV-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CN([C@H](C(C)C)C(=O)NO)[S](=O)(=O)c1ccc(F)c(C)c1 |
SMILES | CACTVS | 3.385 | CC(C)CN([CH](C(C)C)C(=O)NO)[S](=O)(=O)c1ccc(F)c(C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)C(C(C)C)C(=O)NO |