4-[[5-chloranyl-2-(phenylsulfonylaminomethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-(phenylsulfonylaminomethyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamidomethyl)-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamidomethyl)-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamidomethyl)-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamidomethyl)-5-chloro-phenoxy]methyl]benzoic acid Formula: C21H18ClNO5S MolecularWeight: 431.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCC2=C(C=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCC2=C(C=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18ClNO5S/c22-18-11-10-17(13-23-29(26,27)19-4-2-1-3-5-19)20(12-18)28-14-15-6-8-16(9-7-15)21(24)25/h1-12,23H,13-14H2,(H,24,25)