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

Systemtic Name: 4-[[4-bromanyl-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-4-bromo-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-4-bromophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-4-bromophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-4-bromo-phenoxy]methyl]benzoic acid Formula: C20H16BrNO5S MolecularWeight: 462.31374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO5S/c21-16-10-11-19(27-13-14-6-8-15(9-7-14)20(23)24)18(12-16)22-28(25,26)17-4-2-1-3-5-17/h1-12,22H,13H2,(H,23,24)