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

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[2-(3-methylphenoxy)ethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-18-6-5-7-19(16-18)28-15-10-22-21(25)17-23-11-13-24(14-12-23)29(26,27)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)/p+1