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

Systemtic Name: ethyl 2-butyl-3-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[2-(isobutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[2-[[2-methylpropoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-(isobutoxycarbonylsulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C29H37N3O6S2 MolecularWeight: 587.75058

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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)OCC(C)C)C(=O)OCC)SC

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O6S2/c1-6-8-13-25-30-27(39-5)26(28(33)37-7-2)32(25)18-21-14-16-22(17-15-21)23-11-9-10-12-24(23)40(35,36)31-29(34)38-19-20(3)4/h9-12,14-17,20H,6-8,13,18-19H2,1-5H3,(H,31,34)