N-[(3-methoxyphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-m-anisyl-acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-27-18-7-5-6-17(14-18)15-21-20(24)16-22-10-12-23(13-11-22)28(25,26)19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3,(H,21,24)/p+1