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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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