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

Systemtic Name: ethyl 2-butyl-5-(4-oxidanylbutylsulfanyl)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-(4-hydroxybutylsulfanyl)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(4-hydroxybutylthio)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-(4-hydroxybutylsulfanyl)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(4-hydroxybutylthio)-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C27H35N3O5S2 MolecularWeight: 545.7139

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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)SCCCCO

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O5S2/c1-3-5-12-24-29-26(36-18-9-8-17-31)25(27(32)35-4-2)30(24)19-20-13-15-21(16-14-20)22-10-6-7-11-23(22)37(28,33)34/h6-7,10-11,13-16,31H,3-5,8-9,12,17-19H2,1-2H3,(H2,28,33,34)