4-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoic acid Formula: C25H25NO7S MolecularWeight: 483.5335

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H25NO7S/c1-3-4-22-23(14-13-21(16(2)27)24(22)28)33-15-17-5-11-20(12-6-17)34(31,32)26-19-9-7-18(8-10-19)25(29)30/h5-14,26,28H,3-4,15H2,1-2H3,(H,29,30)