N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-3-(ethylsulfonylamino)benzamide

Systemtic Name: N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-3-(ethylsulfonylamino)benzamide Openeye Name: N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-3-(ethylsulfonylamino)benzamide CAS Name: N-[[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methyl]-3-(ethylsulfonylamino)benzamide IUPAC Name: N-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methyl]-3-(ethylsulfonylamino)benzamide Traditional Name: 3-(esylamino)-N-[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]benzamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)NS(=O)(=O)CC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=CC(=CC=C3)NS(=O)(=O)CC

InChI

InChI=1S/C23H32N4O3S/c1-3-26-12-14-27(15-13-26)18-21-9-6-5-8-20(21)17-24-23(28)19-10-7-11-22(16-19)25-31(29,30)4-2/h5-11,16,25H,3-4,12-15,17-18H2,1-2H3,(H,24,28)/p+1