4-[[5-chloranyl-2-(phenylsulfonylamino)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-(phenylsulfonylamino)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-5-chloro-phenyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(benzenesulfonamido)-5-chlorophenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-5-chlorophenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-(benzenesulfonamido)-5-chloro-phenyl]thio]methyl]benzoic acid Formula: C20H16ClNO4S2 MolecularWeight: 433.92834

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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)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16ClNO4S2/c21-16-10-11-18(22-28(25,26)17-4-2-1-3-5-17)19(12-16)27-13-14-6-8-15(9-7-14)20(23)24/h1-12,22H,13H2,(H,23,24)