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

Systemtic Name: ethyl 2-butyl-5-methylsulfonyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfonyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-methylsulfonyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfonyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-mesyl-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S2/c1-4-6-11-21-26-23(34(3,29)30)22(24(28)33-5-2)27(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)35(25,31)32/h7-10,12-15H,4-6,11,16H2,1-3H3,(H2,25,31,32)