4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-N-propargyl-benzenesulfonamide Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-3-12-24-32(28,29)22-10-4-19(5-11-22)23(27)26-15-13-25(14-16-26)17-18-31-21-8-6-20(30-2)7-9-21/h1,4-11,24H,12-18H2,2H3/p+1