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

Systemtic Name: ethyl 2-butyl-3-[[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[2-[[(cyclopropylmethylamino)-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C29H36N4O5S2 MolecularWeight: 584.74994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4CC4)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4CC4)C(=O)OCC)SC

InChI

InChI=1S/C29H36N4O5S2/c1-4-6-11-25-31-27(39-3)26(28(34)38-5-2)33(25)19-21-14-16-22(17-15-21)23-9-7-8-10-24(23)40(36,37)32-29(35)30-18-20-12-13-20/h7-10,14-17,20H,4-6,11-13,18-19H2,1-3H3,(H2,30,32,35)