sodium 3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoate

Systemtic Name: sodium 3-[[4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoate Openeye Name: sodium 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoate CAS Name: sodium 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfonylamino]benzoate IUPAC Name: sodium 3-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfonylamino]benzoate Traditional Name: sodium 3-[[4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]sulfonylamino]benzoate Formula: C25H24NNaO7S MolecularWeight: 505.51533

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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=CC(=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H25NO7S.Na/c1-3-5-22-23(13-12-21(16(2)27)24(22)28)33-15-17-8-10-20(11-9-17)34(31,32)26-19-7-4-6-18(14-19)25(29)30;/h4,6-14,26,28H,3,5,15H2,1-2H3,(H,29,30);/q;+1/p-1