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

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

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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#N)C(=O)OC(C)C)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC#N)C(=O)OC(C)C)SC

InChI

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