tert-butyl 4-(2-acetamidoethylsulfonyl)-2-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-acetamidoethylsulfonyl)-2-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-acetamidoethylsulfonyl)-2-(tert-butoxycarbamoyl)piperazine-1-carboxylate CAS Name: 4-(2-acetamidoethylsulfonyl)-2-[[(2-methylpropan-2-yl)oxyamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-acetamidoethylsulfonyl)-2-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(2-acetamidoethylsulfonyl)-2-(tert-butoxycarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H34N4O7S MolecularWeight: 450.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCS(=O)(=O)N1CCN(C(C1)C(=O)NOC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCCS(=O)(=O)N1CCN(C(C1)C(=O)NOC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H34N4O7S/c1-13(23)19-8-11-30(26,27)21-9-10-22(16(25)28-17(2,3)4)14(12-21)15(24)20-29-18(5,6)7/h14H,8-12H2,1-7H3,(H,19,23)(H,20,24)