2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-(phenylsulfinyl)imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-(phenylsulfinyl)imidazole-4-carboxylic acid Openeye Name: 5-(benzenesulfinyl)-2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]imidazole-4-carboxylic acid CAS Name: 5-(benzenesulfinyl)-2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 5-(benzenesulfinyl)-2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]imidazole-4-carboxylic acid Traditional Name: 5-(benzenesulfinyl)-2-butyl-3-(3-carboxy-4-phenyl-benzyl)imidazole-4-carboxylic acid Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)O)S(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)O)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-2-3-14-24-29-26(36(35)21-12-8-5-9-13-21)25(28(33)34)30(24)18-19-15-16-22(23(17-19)27(31)32)20-10-6-4-7-11-20/h4-13,15-17H,2-3,14,18H2,1H3,(H,31,32)(H,33,34)