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

Systemtic Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(pyridin-3-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(3-pyridylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-[2-[[oxo-(3-pyridinylmethylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-5-methylsulfanyl-3-[[4-[2-(pyridin-3-ylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-[2-(3-pyridylmethylcarbamoylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid ethyl ester Formula: C31H35N5O5S2 MolecularWeight: 621.7701

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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=CN=CC=C4)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CN=CC=C4)C(=O)OCC)SC

InChI

InChI=1S/C31H35N5O5S2/c1-4-6-13-27-34-29(42-3)28(30(37)41-5-2)36(27)21-22-14-16-24(17-15-22)25-11-7-8-12-26(25)43(39,40)35-31(38)33-20-23-10-9-18-32-19-23/h7-12,14-19H,4-6,13,20-21H2,1-3H3,(H2,33,35,38)