2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propanoic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propanoic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propanoic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonylpropanoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-[4-(4-chlorophenyl)phenyl]sulfonylpropanoic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-[4-(4-chlorophenyl)phenyl]sulfonyl-propionic acid Formula: C23H19ClN2O4S2 MolecularWeight: 486.99096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(CS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(CS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H19ClN2O4S2/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)32(29,30)14-17(22(27)28)13-31-23-25-20-3-1-2-4-21(20)26-23/h1-12,17H,13-14H2,(H,25,26)(H,27,28)