5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-benzenesulfonamide

Systemtic Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-benzenesulfonamide Openeye Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methylbenzenesulfonamide IUPAC Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methylbenzenesulfonamide Traditional Name: 2-methyl-5-(4-p-anisylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O4S/c1-15-3-6-17(13-19(15)28(21,25)26)20(24)23-11-9-22(10-12-23)14-16-4-7-18(27-2)8-5-16/h3-8,13H,9-12,14H2,1-2H3,(H2,21,25,26)/p+1