2-butyl-5-methylsulfanyl-3-[[4-[2-(pyridin-2-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(pyridin-2-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(2-pyridylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo-(2-pyridinylmethylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-methylsulfanyl-3-[[4-[2-(pyridin-2-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(2-pyridylmethylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C29H31N5O5S2 MolecularWeight: 593.71694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CC=N4)C(=O)O)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CC=N4)C(=O)O)SC

InChI

InChI=1S/C29H31N5O5S2/c1-3-4-12-25-32-27(40-2)26(28(35)36)34(25)19-20-13-15-21(16-14-20)23-10-5-6-11-24(23)41(38,39)33-29(37)31-18-22-9-7-8-17-30-22/h5-11,13-17H,3-4,12,18-19H2,1-2H3,(H,35,36)(H2,31,33,37)