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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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