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

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-14(2)12-18-17(21)13-19-8-10-20(11-9-19)24(22,23)16-6-4-15(3)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,18,21)/p+1