4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(5-butyl-2-pyrazinyl)-1-piperazinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-(5-butylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(5-butylpyrazin-2-yl)piperazino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-2-3-4-15-13-20-16(14-19-15)21-7-9-22(10-8-21)28(25,26)18(17(23)24)5-11-27-12-6-18/h13-14H,2-12H2,1H3,(H,23,24)