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

Systemtic Name: N-[2-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(o-tolyl)ethyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-methylphenyl)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(o-tolyl)ethyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O3S/c1-18-7-9-21(10-8-18)29(27,28)25-15-13-24(14-16-25)17-22(26)23-12-11-20-6-4-3-5-19(20)2/h3-10H,11-17H2,1-2H3,(H,23,26)/p+1