dipotassium 2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: dipotassium 2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: dipotassium 2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]imidazole-4-carboxylate CAS Name: dipotassium 2-butyl-5-(methylthio)-3-[[3-[[oxo(propylamino)methyl]sulfamoyl]-4-phenylphenyl]methyl]-4-imidazolecarboxylate IUPAC Name: dipotassium 2-butyl-5-methylsulfanyl-3-[[4-phenyl-3-(propylcarbamoylsulfamoyl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: dipotassium 2-butyl-5-(methylthio)-3-[4-phenyl-3-(propylcarbamoylsulfamoyl)benzyl]imidazole-4-carboxylate Formula: C52H62K2N8O10S4 MolecularWeight: 1165.55288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NCCC)C(=O)[O-])SC.CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NCCC)C(=O)[O-])SC.[K+].[K+]

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NCCC)C(=O)[O-])SC.CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NCCC)C(=O)[O-])SC.[K+].[K+]

InChI

InChI=1S/2C26H32N4O5S2.2K/c2*1-4-6-12-22-28-24(36-3)23(25(31)32)30(22)17-18-13-14-20(19-10-8-7-9-11-19)21(16-18)37(34,35)29-26(33)27-15-5-2;;/h2*7-11,13-14,16H,4-6,12,15,17H2,1-3H3,(H,31,32)(H2,27,29,33);;/q;;2*+1/p-2