Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N(C)CC(=O)Nc1cccc(NC(C)=O)c1)c1cc(C)cc(c1)C(F)F |
InChI | InChI | 1.06 | InChI=1S/C19H21F2N3O4S/c1-12-7-14(19(20)21)9-17(8-12)29(27,28)24(3)11-18(26)23-16-6-4-5-15(10-16)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,25)(H,23,26) |
InChIKey | InChI | 1.06 | MYNNHYIXRANCAX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(=O)Nc1cccc(NC(C)=O)c1)[S](=O)(=O)c2cc(C)cc(c2)C(F)F |
SMILES | CACTVS | 3.385 | CN(CC(=O)Nc1cccc(NC(C)=O)c1)[S](=O)(=O)c2cc(C)cc(c2)C(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)S(=O)(=O)N(C)CC(=O)Nc2cccc(c2)NC(=O)C)C(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)S(=O)(=O)N(C)CC(=O)Nc2cccc(c2)NC(=O)C)C(F)F |