phenyl 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(5-bromo-2-pyridyl)piperazino]ethanesulfonic acid phenyl ester Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O3S/c18-15-6-7-17(19-14-15)21-10-8-20(9-11-21)12-13-25(22,23)24-16-4-2-1-3-5-16/h1-7,14H,8-13H2