2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyridylmethylsulfanyl)propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyridinylmethylthio)propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyridylmethylthio)propionic acid Formula: C22H20ClNO4S2 MolecularWeight: 461.9815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO4S2/c23-19-8-4-16(5-9-19)17-6-10-21(11-7-17)30(27,28)15-18(22(25)26)13-29-14-20-3-1-2-12-24-20/h1-12,18H,13-15H2,(H,25,26)