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

Systemtic Name: (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanyl-propanoic acid Openeye Name: (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanyl-propanoic acid CAS Name: (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-(phenylthio)propanoic acid IUPAC Name: (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanylpropanoic acid Traditional Name: (2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-(phenylthio)propionic acid Formula: C23H21ClO4S2 MolecularWeight: 460.99344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C[C@](CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H21ClO4S2/c1-23(22(25)26,15-29-20-5-3-2-4-6-20)16-30(27,28)21-13-9-18(10-14-21)17-7-11-19(24)12-8-17/h2-14H,15-16H2,1H3,(H,25,26)/t23-/m0/s1