tert-butyl 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyltetrahydropyran-4-carboxylate CAS Name: 4-[[4-(5-butyl-2-pyrazinyl)-1-piperazinyl]sulfonyl]-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(5-butylpyrazin-2-yl)piperazino]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C22H36N4O5S MolecularWeight: 468.61004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=N1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CN=C(C=N1)N2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N4O5S/c1-5-6-7-18-16-24-19(17-23-18)25-10-12-26(13-11-25)32(28,29)22(8-14-30-15-9-22)20(27)31-21(2,3)4/h16-17H,5-15H2,1-4H3