2-butyl-1-methylsulfanyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazol-1-ium-4-carboxylic acid

Systemtic Name: 2-butyl-1-methylsulfanyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazol-1-ium-4-carboxylic acid Openeye Name: 2-butyl-1-methylsulfanyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazol-1-ium-4-carboxylic acid CAS Name: 2-butyl-1-(methylthio)-1-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazol-1-iumcarboxylic acid IUPAC Name: 2-butyl-1-methylsulfanyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazol-1-ium-4-carboxylic acid Traditional Name: 2-butyl-1-(methylthio)-1-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]imidazol-1-ium-4-carboxylic acid Formula: C26H33N4O5S2+ MolecularWeight: 545.69402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C[N+]1(CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCCC)SC)C(=O)O

Isomeric SMILES

CCCCC1=NC(=C[N+]1(CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCCC)SC)C(=O)O

InChI

InChI=1S/C26H32N4O5S2/c1-4-6-11-24-28-22(25(31)32)18-30(24,36-3)17-19-12-14-20(15-13-19)21-9-7-8-10-23(21)37(34,35)29-26(33)27-16-5-2/h7-10,12-15,18H,4-6,11,16-17H2,1-3H3,(H2-,27,29,31,32,33)/p+1