4-ethoxy-N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[2-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C22H32N3O6S2+ MolecularWeight: 498.63598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H31N3O6S2/c1-3-30-19-5-9-21(10-6-19)32(26,27)23-13-14-24-15-17-25(18-16-24)33(28,29)22-11-7-20(8-12-22)31-4-2/h5-12,23H,3-4,13-18H2,1-2H3/p+1