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

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(1-methylimidazol-2-yl)sulfanyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(1-methylimidazol-2-yl)sulfanyl-propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(1-methyl-2-imidazolyl)thio]propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(1-methylimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(1-methylimidazol-2-yl)thio]propionic acid Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H19ClN2O4S2/c1-23-11-10-22-20(23)28-12-16(19(24)25)13-29(26,27)18-8-4-15(5-9-18)14-2-6-17(21)7-3-14/h2-11,16H,12-13H2,1H3,(H,24,25)