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

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[3-[(3-sulfamoylphenyl)methyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[3-[(3-sulfamoylphenyl)methyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[3-[(3-sulfamoylphenyl)methyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[3-[(3-sulfamoylphenyl)methyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[3-(3-sulfamoylbenzyl)benzyl]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=CC(=C2)CC3=CC(=CC=C3)S(=O)(=O)N)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC(=C2)CC3=CC(=CC=C3)S(=O)(=O)N)C(=O)OCC)SC

InChI

InChI=1S/C25H31N3O4S2/c1-4-6-13-22-27-24(33-3)23(25(29)32-5-2)28(22)17-20-11-7-9-18(15-20)14-19-10-8-12-21(16-19)34(26,30)31/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H2,26,30,31)