2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-sec-butyl-imidazole-4-carboxylic acid CAS Name: 3-[[4-[2-[[anilino(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-2-butan-2-yl-5-(methylthio)-4-imidazolecarboxylic acid IUPAC Name: 2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(phenylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 5-(methylthio)-3-[4-[2-(phenylcarbamoylsulfamoyl)phenyl]benzyl]-2-sec-butyl-imidazole-4-carboxylic acid Formula: C29H30N4O5S2 MolecularWeight: 578.7023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NC4=CC=CC=C4)C(=O)O)SC

Isomeric SMILES

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NC4=CC=CC=C4)C(=O)O)SC

InChI

InChI=1S/C29H30N4O5S2/c1-4-19(2)26-31-27(39-3)25(28(34)35)33(26)18-20-14-16-21(17-15-20)23-12-8-9-13-24(23)40(37,38)32-29(36)30-22-10-6-5-7-11-22/h5-17,19H,4,18H2,1-3H3,(H,34,35)(H2,30,32,36)