2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]butanoic acid

Systemtic Name: 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]butanoic acid Openeye Name: 2-[[2-phenyl-5-(p-tolylsulfonyl)-1H-imidazol-4-yl]sulfanyl]butanoic acid CAS Name: 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]thio]butanoic acid IUPAC Name: 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]butanoic acid Traditional Name: 2-[(2-phenyl-5-tosyl-1H-imidazol-4-yl)thio]butyric acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=C(NC(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)O)SC1=C(NC(=N1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N2O4S2/c1-3-16(20(23)24)27-18-19(22-17(21-18)14-7-5-4-6-8-14)28(25,26)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,21,22)(H,23,24)