2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C13H19N3O3S/c1-11-3-2-4-12(9-11)20(18,19)16-7-5-15(6-8-16)10-13(14)17/h2-4,9H,5-8,10H2,1H3,(H2,14,17)/p+1