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

Systemtic Name: ethyl 2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-methyl-5-(methylthio)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-methyl-5-(methylthio)-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C)SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C)SC

InChI

InChI=1S/C21H23N3O4S2/c1-4-28-21(25)19-20(29-3)23-14(2)24(19)13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)30(22,26)27/h5-12H,4,13H2,1-3H3,(H2,22,26,27)