2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(2-methyl-4H-imidazol-4-yl)sulfanyl]-2-oxidanyl-propanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(2-methyl-4H-imidazol-4-yl)sulfanyl]-2-oxidanyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-[(2-methyl-4H-imidazol-4-yl)sulfanyl]propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-[(2-methyl-4H-imidazol-4-yl)thio]propanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-[(2-methyl-4H-imidazol-4-yl)sulfanyl]propanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-[(2-methyl-4H-imidazol-4-yl)thio]propionic acid Formula: C20H19ClN2O5S2 MolecularWeight: 466.95826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(C=N1)SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(C(=O)O)O

Isomeric SMILES

CC1=NC(C=N1)SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(C(=O)O)O

InChI

InChI=1S/C20H19ClN2O5S2/c1-13-22-10-18(23-13)29-11-20(26,19(24)25)12-30(27,28)17-8-4-15(5-9-17)14-2-6-16(21)7-3-14/h2-10,18,26H,11-12H2,1H3,(H,24,25)