2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-3-[4-(4-chlorophenyl)phenyl]sulfonyl-2-hydroxy-propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-3-[4-(4-chlorophenyl)phenyl]sulfonyl-2-hydroxypropanoic acid Traditional Name: 2-[(benzylthio)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-2-hydroxy-propionic acid Formula: C23H21ClO5S2 MolecularWeight: 476.99284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(C(=O)O)O

InChI

InChI=1S/C23H21ClO5S2/c24-20-10-6-18(7-11-20)19-8-12-21(13-9-19)31(28,29)16-23(27,22(25)26)15-30-14-17-4-2-1-3-5-17/h1-13,27H,14-16H2,(H,25,26)