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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C(C2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1C(C2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)N)C(=O)O)Cl

InChI

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