2-methyl-5-nitro-N-[4-oxidanyl-3-[4,4,4-tris(fluoranyl)-1-oxidanyl-3-oxidanylidene-1-propan-2-yloxy-but-1-en-2-yl]phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[4-oxidanyl-3-[4,4,4-tris(fluoranyl)-1-oxidanyl-3-oxidanylidene-1-propan-2-yloxy-but-1-en-2-yl]phenyl]benzenesulfonamide Openeye Name: N-[4-hydroxy-3-[3,3,3-trifluoro-1-[hydroxy(isopropoxy)methylene]-2-oxo-propyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-hydroxy-3-(4,4,4-trifluoro-1-hydroxy-3-oxo-1-propan-2-yloxybut-1-en-2-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(4,4,4-trifluoro-1-hydroxy-3-oxo-1-propan-2-yloxybut-1-en-2-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-hydroxy-3-[2-hydroxy-2-isopropoxy-1-(2,2,2-trifluoroacetyl)vinyl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H19F3N2O8S MolecularWeight: 504.43367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)O)C(=C(O)OC(C)C)C(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC(=C(C=C2)O)C(=C(O)OC(C)C)C(=O)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O8S/c1-10(2)33-19(28)17(18(27)20(21,22)23)14-8-12(5-7-15(14)26)24-34(31,32)16-9-13(25(29)30)6-4-11(16)3/h4-10,24,26,28H,1-3H3