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

Systemtic Name: ethyl 2-butyl-5-(methylsulfanylmethylsulfanyl)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-(methylsulfanylmethylsulfanyl)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-[(methylthio)methylthio]-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-(methylsulfanylmethylsulfanyl)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-[(methylthio)methylthio]-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C25H31N3O4S3 MolecularWeight: 533.72634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)SCSC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(=O)OCC)SCSC

InChI

InChI=1S/C25H31N3O4S3/c1-4-6-11-22-27-24(34-17-33-3)23(25(29)32-5-2)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)35(26,30)31/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H2,26,30,31)