4-[4-[[4-bromanyl-2-methyl-6-(oxidanylcarbamoyl)phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-cyclobutyl-carbamic acid

Systemtic Name: 4-[4-[[4-bromanyl-2-methyl-6-(oxidanylcarbamoyl)phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-cyclobutyl-carbamic acid Openeye Name: 4-[4-[[4-bromo-2-(hydroxycarbamoyl)-6-methyl-phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-cyclobutyl-carbamic acid CAS Name: 4-[4-[[4-bromo-2-[(hydroxyamino)-oxomethyl]-6-methylphenyl]-methylsulfamoyl]phenoxy]but-2-ynyl-cyclobutylcarbamic acid IUPAC Name: 4-[4-[[4-bromo-2-(hydroxycarbamoyl)-6-methylphenyl]-methylsulfamoyl]phenoxy]but-2-ynyl-cyclobutylcarbamic acid Traditional Name: 4-[4-[[4-bromo-2-(hydroxycarbamoyl)-6-methyl-phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-cyclobutyl-carbamic acid Formula: C24H26BrN3O7S MolecularWeight: 580.44814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NO)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCN(C3CCC3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NO)N(C)S(=O)(=O)C2=CC=C(C=C2)OCC#CCN(C3CCC3)C(=O)O

InChI

InChI=1S/C24H26BrN3O7S/c1-16-14-17(25)15-21(23(29)26-32)22(16)27(2)36(33,34)20-10-8-19(9-11-20)35-13-4-3-12-28(24(30)31)18-6-5-7-18/h8-11,14-15,18,32H,5-7,12-13H2,1-2H3,(H,26,29)(H,30,31)