4-[[5-(hydroxymethyl)-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-(hydroxymethyl)-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-5-(hydroxymethyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-5-(hydroxymethyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-5-(hydroxymethyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-5-methylol-phenoxy]methyl]benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)CO)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)CO)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19NO6S/c23-13-16-8-11-19(22-29(26,27)18-4-2-1-3-5-18)20(12-16)28-14-15-6-9-17(10-7-15)21(24)25/h1-12,22-23H,13-14H2,(H,24,25)