3-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]propanoic acid Openeye Name: 3-[[2-phenyl-5-(p-tolylsulfonyl)-1H-imidazol-4-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]thio]propanoic acid IUPAC Name: 3-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]propanoic acid Traditional Name: 3-[(2-phenyl-5-tosyl-1H-imidazol-4-yl)thio]propionic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=CC=C3)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=C(N2)C3=CC=CC=C3)SCCC(=O)O

InChI

InChI=1S/C19H18N2O4S2/c1-13-7-9-15(10-8-13)27(24,25)19-18(26-12-11-16(22)23)20-17(21-19)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,21)(H,22,23)