N-(5-chloranylpyridin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)13-18(24)21-17-7-4-15(19)12-20-17/h2-7,12H,8-11,13H2,1H3,(H,20,21,24)/p+1