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

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-pyrimidin-2-ylsulfanyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-pyrimidin-2-ylsulfanyl-propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyrimidinylthio)propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-pyrimidin-2-ylsulfanylpropanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(2-pyrimidylthio)propionic acid Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4S2/c21-17-6-2-14(3-7-17)15-4-8-18(9-5-15)29(26,27)13-16(19(24)25)12-28-20-22-10-1-11-23-20/h1-11,16H,12-13H2,(H,24,25)