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

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-pyridin-2-ylsulfanyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(2-pyridylsulfanyl)propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(2-pyridinylthio)propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-pyridin-2-ylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(2-pyridylthio)propionic acid Formula: C21H18ClNO5S2 MolecularWeight: 463.95432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO5S2/c22-17-8-4-15(5-9-17)16-6-10-18(11-7-16)30(27,28)14-21(26,20(24)25)13-29-19-3-1-2-12-23-19/h1-12,26H,13-14H2,(H,24,25)