ethyl 5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 5-(methylthio)-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 5-(methylthio)-2-propyl-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)SC

InChI

InChI=1S/C23H27N3O4S2/c1-4-8-20-25-22(31-3)21(23(27)30-5-2)26(20)15-16-11-13-17(14-12-16)18-9-6-7-10-19(18)32(24,28)29/h6-7,9-14H,4-5,8,15H2,1-3H3,(H2,24,28,29)