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

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[2-(pyridin-3-ylsulfonylamino)ethylsulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(tert-butoxycarbamoyl)-4-[2-(3-pyridylsulfonylamino)ethylsulfonyl]piperazine-1-carboxylate CAS Name: 2-[[(2-methylpropan-2-yl)oxyamino]-oxomethyl]-4-[2-(3-pyridinylsulfonylamino)ethylsulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbamoyl]-4-[2-(pyridin-3-ylsulfonylamino)ethylsulfonyl]piperazine-1-carboxylate Traditional Name: 2-(tert-butoxycarbamoyl)-4-[2-(3-pyridylsulfonylamino)ethylsulfonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H35N5O8S2 MolecularWeight: 549.6613

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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)CCNS(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H35N5O8S2/c1-20(2,3)33-19(28)26-12-11-25(15-17(26)18(27)24-34-21(4,5)6)35(29,30)13-10-23-36(31,32)16-8-7-9-22-14-16/h7-9,14,17,23H,10-13,15H2,1-6H3,(H,24,27)