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

Systemtic Name: ethyl 3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-(1-oxobutylsulfamoyl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-(butyrylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C28H35N3O5S2 MolecularWeight: 557.7246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)CCC)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)CCC)C(=O)OCC)SC

InChI

InChI=1S/C28H35N3O5S2/c1-5-8-14-24-29-27(37-4)26(28(33)36-7-3)31(24)19-20-15-17-21(18-16-20)22-12-9-10-13-23(22)38(34,35)30-25(32)11-6-2/h9-10,12-13,15-18H,5-8,11,14,19H2,1-4H3,(H,30,32)