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

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-pyridin-2-ylsulfanyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyridylsulfanyl)propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyridinylthio)propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-pyridin-2-ylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyridylthio)propionic acid Formula: C21H18ClNO4S2 MolecularWeight: 447.95492

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO4S2/c22-18-8-4-15(5-9-18)16-6-10-19(11-7-16)29(26,27)14-17(21(24)25)13-28-20-3-1-2-12-23-20/h1-12,17H,13-14H2,(H,24,25)