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

Systemtic Name: 4-[4-[[4-bromanyl-2-methyl-6-(oxidanylcarbamoyl)phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-methyl-carbamic acid Openeye Name: 4-[4-[[4-bromo-2-(hydroxycarbamoyl)-6-methyl-phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-methyl-carbamic acid CAS Name: 4-[4-[[4-bromo-2-[(hydroxyamino)-oxomethyl]-6-methylphenyl]-methylsulfamoyl]phenoxy]but-2-ynyl-methylcarbamic acid IUPAC Name: 4-[4-[[4-bromo-2-(hydroxycarbamoyl)-6-methylphenyl]-methylsulfamoyl]phenoxy]but-2-ynyl-methylcarbamic acid Traditional Name: 4-[4-[[4-bromo-2-(hydroxycarbamoyl)-6-methyl-phenyl]-methyl-sulfamoyl]phenoxy]but-2-ynyl-methyl-carbamic acid Formula: C21H22BrN3O7S MolecularWeight: 540.38428

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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(C)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(C)C(=O)O

InChI

InChI=1S/C21H22BrN3O7S/c1-14-12-15(22)13-18(20(26)23-29)19(14)25(3)33(30,31)17-8-6-16(7-9-17)32-11-5-4-10-24(2)21(27)28/h6-9,12-13,29H,10-11H2,1-3H3,(H,23,26)(H,27,28)