tert-butyl 4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromophenoxy)phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate CAS Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-3-[(hydroxyamino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromophenoxy)phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate Traditional Name: 4-[4-(4-bromophenoxy)phenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26BrN3O7S MolecularWeight: 556.42674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrN3O7S/c1-22(2,3)33-21(28)25-12-13-26(19(14-25)20(27)24-29)34(30,31)18-10-8-17(9-11-18)32-16-6-4-15(23)5-7-16/h4-11,19,29H,12-14H2,1-3H3,(H,24,27)