4-[[3-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[3-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[3-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[3-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[3-nitro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[3-nitro-4-[4-(trifluoromethyl)benzyl]oxy-phenyl]sulfonylamino]benzoic acid Formula: C21H15F3N2O7S MolecularWeight: 496.41321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H15F3N2O7S/c22-21(23,24)15-5-1-13(2-6-15)12-33-19-10-9-17(11-18(19)26(29)30)34(31,32)25-16-7-3-14(4-8-16)20(27)28/h1-11,25H,12H2,(H,27,28)