(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C22H19ClO4S2 MolecularWeight: 446.96686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)SC[C@H](CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H19ClO4S2/c23-19-10-6-16(7-11-19)17-8-12-21(13-9-17)29(26,27)15-18(22(24)25)14-28-20-4-2-1-3-5-20/h1-13,18H,14-15H2,(H,24,25)/t18-/m1/s1