4-[[5-chloranyl-2-(phenylsulfonylamino)phenoxy]methyl]phthalic acid

Systemtic Name: 4-[[5-chloranyl-2-(phenylsulfonylamino)phenoxy]methyl]phthalic acid Openeye Name: 4-[[2-(benzenesulfonamido)-5-chloro-phenoxy]methyl]phthalic acid CAS Name: 4-[[2-(benzenesulfonamido)-5-chlorophenoxy]methyl]phthalic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-5-chlorophenoxy]methyl]phthalic acid Traditional Name: 4-[[2-(benzenesulfonamido)-5-chloro-phenoxy]methyl]phthalic acid Formula: C21H16ClNO7S MolecularWeight: 461.87224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO7S/c22-14-7-9-18(23-31(28,29)15-4-2-1-3-5-15)19(11-14)30-12-13-6-8-16(20(24)25)17(10-13)21(26)27/h1-11,23H,12H2,(H,24,25)(H,26,27)