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

Systemtic Name: propan-2-yl 2-butyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: isopropyl 2-butyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-(methylthio)-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]-4-imidazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butyl-5-methylsulfanyl-3-[[4-(2-sulfamoylphenyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-(methylthio)-3-[4-(2-sulfamoylphenyl)benzyl]imidazole-4-carboxylic acid isopropyl ester Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S2/c1-5-6-11-22-27-24(33-4)23(25(29)32-17(2)3)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)34(26,30)31/h7-10,12-15,17H,5-6,11,16H2,1-4H3,(H2,26,30,31)