N-(5-bromanylpyridin-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(5-bromo-2-pyridinyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(5-bromo-2-pyridyl)acetamide Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=NC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19BrN4O3S/c18-14-6-7-16(19-12-14)20-17(23)13-21-8-10-22(11-9-21)26(24,25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,19,20,23)