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

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-tert-butoxycarbonyl-piperazine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-besyl-4-tert-butoxycarbonyl-piperazine-2-carboxylic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-16(2,3)24-15(21)17-9-10-18(13(11-17)14(19)20)25(22,23)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,20)