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

Systemtic Name: 2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(thiophen-2-ylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Openeye Name: 5-methylsulfanyl-2-sec-butyl-3-[[4-[2-(2-thienylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid CAS Name: 2-butan-2-yl-5-(methylthio)-3-[[4-[2-[[oxo(thiophen-2-ylmethoxy)methyl]sulfamoyl]phenyl]phenyl]methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butan-2-yl-5-methylsulfanyl-3-[[4-[2-(thiophen-2-ylmethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid Traditional Name: 5-(methylthio)-2-sec-butyl-3-[4-[2-(2-thenyloxycarbonylsulfamoyl)phenyl]benzyl]imidazole-4-carboxylic acid Formula: C28H29N3O6S3 MolecularWeight: 599.74136

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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)OCC4=CC=CS4)C(=O)O)SC

Isomeric SMILES

CCC(C)C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC4=CC=CS4)C(=O)O)SC

InChI

InChI=1S/C28H29N3O6S3/c1-4-18(2)25-29-26(38-3)24(27(32)33)31(25)16-19-11-13-20(14-12-19)22-9-5-6-10-23(22)40(35,36)30-28(34)37-17-21-8-7-15-39-21/h5-15,18H,4,16-17H2,1-3H3,(H,30,34)(H,32,33)