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

Systemtic Name: ethyl 2-butyl-3-[[3-[5-(cyanosulfamoyl)-2-methyl-phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[3-[5-(cyanosulfamoyl)-2-methyl-phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[3-[5-(cyanosulfamoyl)-2-methylphenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[3-[5-(cyanosulfamoyl)-2-methylphenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[3-[5-(cyanosulfamoyl)-2-methyl-phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C26H30N4O4S2 MolecularWeight: 526.6708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4S2/c1-5-7-11-23-29-25(35-4)24(26(31)34-6-2)30(23)16-19-9-8-10-20(14-19)22-15-21(13-12-18(22)3)36(32,33)28-17-27/h8-10,12-15,28H,5-7,11,16H2,1-4H3