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

Systemtic Name: 4-[4-(5-bromanylpyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[4-(5-bromopyrazin-2-yl)piperazin-1-yl]sulfonyltetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(5-bromo-2-pyrazinyl)-1-piperazinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-(5-bromopyrazin-2-yl)piperazin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(5-bromopyrazin-2-yl)piperazino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C14H19BrN4O5S MolecularWeight: 435.29346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CN=C(C=N3)Br

Isomeric SMILES

C1COCCC1(C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CN=C(C=N3)Br

InChI

InChI=1S/C14H19BrN4O5S/c15-11-9-17-12(10-16-11)18-3-5-19(6-4-18)25(22,23)14(13(20)21)1-7-24-8-2-14/h9-10H,1-8H2,(H,20,21)