2-butan-2-yl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfonyl-imidazole-4-carboxylic acid

Systemtic Name: 2-butan-2-yl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfonyl-imidazole-4-carboxylic acid Openeye Name: 3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfonyl-2-sec-butyl-imidazole-4-carboxylic acid CAS Name: 2-butan-2-yl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfonyl-4-imidazolecarboxylic acid IUPAC Name: 2-butan-2-yl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-ethylsulfonylimidazole-4-carboxylic acid Traditional Name: 3-[4-(2-carboxyphenyl)benzyl]-5-esyl-2-sec-butyl-imidazole-4-carboxylic acid Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)S(=O)(=O)CC

Isomeric SMILES

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O)S(=O)(=O)CC

InChI

InChI=1S/C24H26N2O6S/c1-4-15(3)21-25-22(33(31,32)5-2)20(24(29)30)26(21)14-16-10-12-17(13-11-16)18-8-6-7-9-19(18)23(27)28/h6-13,15H,4-5,14H2,1-3H3,(H,27,28)(H,29,30)