4-ethoxy-N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]benzenesulfonamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H31N3O3S/c1-3-24-13-15-25(16-14-24)18-20-8-6-5-7-19(20)17-23-29(26,27)22-11-9-21(10-12-22)28-4-2/h5-12,23H,3-4,13-18H2,1-2H3/p+1