N-ethyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-ethyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-ethyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-(4-p-anisylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-22-29(26,27)20-10-6-18(7-11-20)21(25)24-14-12-23(13-15-24)16-17-4-8-19(28-2)9-5-17/h4-11,22H,3,12-16H2,1-2H3/p+1