2-butyl-5-chloranyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-chloranyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-chloro-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-chloro-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-chloro-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-chloro-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)O)Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-2-3-8-18-24-20(22)19(21(26)27)25(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)30(23,28)29/h4-7,9-12H,2-3,8,13H2,1H3,(H,26,27)(H2,23,28,29)