2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(1-pyridin-3-ylimidazol-2-yl)sulfanyl-propanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(1-pyridin-3-ylimidazol-2-yl)sulfanyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[1-(3-pyridyl)imidazol-2-yl]sulfanyl-propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[[1-(3-pyridinyl)-2-imidazolyl]thio]propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(1-pyridin-3-ylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[[1-(3-pyridyl)imidazol-2-yl]thio]propionic acid Formula: C24H20ClN3O4S2 MolecularWeight: 514.0163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)N2C=CN=C2SCC(CS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)N2C=CN=C2SCC(CS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C24H20ClN3O4S2/c25-20-7-3-17(4-8-20)18-5-9-22(10-6-18)34(31,32)16-19(23(29)30)15-33-24-27-12-13-28(24)21-2-1-11-26-14-21/h1-14,19H,15-16H2,(H,29,30)