tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[2-(pyridin-3-ylcarbonylamino)ethylsulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[2-(pyridin-3-ylcarbonylamino)ethylsulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbamoyl)-4-[2-(pyridine-3-carbonylamino)ethylsulfonyl]piperazine-1-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxyamino]-oxomethyl]-4-[2-[[oxo(3-pyridinyl)methyl]amino]ethylsulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[2-(pyridine-3-carbonylamino)ethylsulfonyl]piperazine-1-carboxylate Traditional Name: 2-(tert-butoxycarbamoyl)-4-(2-nicotinamidoethylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H35N5O7S MolecularWeight: 513.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)NOC(C)(C)C)S(=O)(=O)CCNC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)NOC(C)(C)C)S(=O)(=O)CCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C22H35N5O7S/c1-21(2,3)33-20(30)27-12-11-26(15-17(27)19(29)25-34-22(4,5)6)35(31,32)13-10-24-18(28)16-8-7-9-23-14-16/h7-9,14,17H,10-13,15H2,1-6H3,(H,24,28)(H,25,29)