N-(2-chloranylpyridin-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2-chloro-3-pyridyl)acetamide Formula: C17H20ClN4O3S+ MolecularWeight: 395.8837

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(N=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(N=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19ClN4O3S/c18-17-15(7-4-8-19-17)20-16(23)13-21-9-11-22(12-10-21)26(24,25)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,23)/p+1