2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-2-oxidanyl-3-pyridin-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-2-oxidanyl-3-pyridin-2-ylsulfanyl-propanoic acid Openeye Name: 2-[(5-chloro-2-phenyl-phenyl)sulfonylmethyl]-2-hydroxy-3-(2-pyridylsulfanyl)propanoic acid CAS Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-3-(2-pyridinylthio)propanoic acid IUPAC Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-3-pyridin-2-ylsulfanylpropanoic acid Traditional Name: 2-[(5-chloro-2-phenyl-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=C(C=C1)C2=C(C=C(C=C2)Cl)S(=O)(=O)CC(CSC3=CC=CC=N3)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)S(=O)(=O)CC(CSC3=CC=CC=N3)(C(=O)O)O

InChI

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