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

Systemtic Name: ethyl 2-butyl-3-[[4-[2-(dimethylcarbamoylsulfonylamino)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[2-(dimethylcarbamoylsulfonylamino)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[2-[[dimethylamino(oxo)methyl]sulfonylamino]phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[2-(dimethylcarbamoylsulfonylamino)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[2-(dimethylcarbamoylsulfonylamino)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C27H34N4O5S2 MolecularWeight: 558.71266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(=O)N(C)C)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)(=O)C(=O)N(C)C)C(=O)OCC)SC

InChI

InChI=1S/C27H34N4O5S2/c1-6-8-13-23-28-25(37-5)24(26(32)36-7-2)31(23)18-19-14-16-20(17-15-19)21-11-9-10-12-22(21)29-38(34,35)27(33)30(3)4/h9-12,14-17,29H,6-8,13,18H2,1-5H3