1-(4-bromophenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 1-(4-bromophenyl)sulfonyl-4-tert-butoxycarbonyl-piperazine-2-carboxylic acid CAS Name: 1-(4-bromophenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-brosyl-4-tert-butoxycarbonyl-piperazine-2-carboxylic acid Formula: C16H21BrN2O6S MolecularWeight: 449.31674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN2O6S/c1-16(2,3)25-15(22)18-8-9-19(13(10-18)14(20)21)26(23,24)12-6-4-11(17)5-7-12/h4-7,13H,8-10H2,1-3H3,(H,20,21)