ethyl [5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl] carbonate

Systemtic Name: ethyl [5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl] carbonate Openeye Name: ethyl [5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl] carbonate CAS Name: carbonic acid ethyl [5-(methylthio)-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolyl] ester IUPAC Name: ethyl [5-methylsulfanyl-2-propyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazol-4-yl] carbonate Traditional Name: carbonic acid ethyl [5-(methylthio)-2-propyl-3-[4-(2-sulfamoylphenyl)benzyl]imidazol-4-yl] ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)OC(=O)OCC)SC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)OC(=O)OCC)SC

InChI

InChI=1S/C23H27N3O5S2/c1-4-8-20-25-21(32-3)22(31-23(27)30-5-2)26(20)15-16-11-13-17(14-12-16)18-9-6-7-10-19(18)33(24,28)29/h6-7,9-14H,4-5,8,15H2,1-3H3,(H2,24,28,29)