ethyl 2-butyl-3-[[4-(2-methyl-5-sulfamoyl-phenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-(2-methyl-5-sulfamoyl-phenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(2-methyl-5-sulfamoyl-phenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-methyl-5-sulfamoylphenyl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(2-methyl-5-sulfamoylphenyl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-methyl-5-sulfamoyl-phenyl)benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S2/c1-5-7-8-22-27-24(33-4)23(25(29)32-6-2)28(22)16-18-10-12-19(13-11-18)21-15-20(34(26,30)31)14-9-17(21)3/h9-15H,5-8,16H2,1-4H3,(H2,26,30,31)