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

Systemtic Name: ethyl 2-butyl-3-[[4-[[3-(cyanosulfamoyl)phenyl]methyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[[3-(cyanosulfamoyl)phenyl]methyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[[3-(cyanosulfamoyl)phenyl]methyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[[3-(cyanosulfamoyl)phenyl]methyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[3-(cyanosulfamoyl)benzyl]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=C(C=C2)CC3=CC(=CC=C3)S(=O)(=O)NC#N)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)CC3=CC(=CC=C3)S(=O)(=O)NC#N)C(=O)OCC)SC

InChI

InChI=1S/C26H30N4O4S2/c1-4-6-10-23-29-25(35-3)24(26(31)34-5-2)30(23)17-20-13-11-19(12-14-20)15-21-8-7-9-22(16-21)36(32,33)28-18-27/h7-9,11-14,16,28H,4-6,10,15,17H2,1-3H3