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

Systemtic Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-cyanophenyl)phenyl]sulfonylmethyl]-3-(phenylthio)propionic acid Formula: C23H19NO4S2 MolecularWeight: 437.53126

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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)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H19NO4S2/c24-14-17-6-8-18(9-7-17)19-10-12-22(13-11-19)30(27,28)16-20(23(25)26)15-29-21-4-2-1-3-5-21/h1-13,20H,15-16H2,(H,25,26)