tert-butyl 3-aminocarbonyl-4-[2-(2-bromanylphenoxy)phenyl]sulfonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-aminocarbonyl-4-[2-(2-bromanylphenoxy)phenyl]sulfonyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-bromophenoxy)phenyl]sulfonyl-3-carbamoyl-piperazine-1-carboxylate CAS Name: 4-[2-(2-bromophenoxy)phenyl]sulfonyl-3-carbamoyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-bromophenoxy)phenyl]sulfonyl-3-carbamoylpiperazine-1-carboxylate Traditional Name: 4-[2-(2-bromophenoxy)phenyl]sulfonyl-3-carbamoyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H26BrN3O6S MolecularWeight: 540.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N)S(=O)(=O)C2=CC=CC=C2OC3=CC=CC=C3Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N)S(=O)(=O)C2=CC=CC=C2OC3=CC=CC=C3Br

InChI

InChI=1S/C22H26BrN3O6S/c1-22(2,3)32-21(28)25-12-13-26(16(14-25)20(24)27)33(29,30)19-11-7-6-10-18(19)31-17-9-5-4-8-15(17)23/h4-11,16H,12-14H2,1-3H3,(H2,24,27)