N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(4-fluorobenzyl)benzenesulfonamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26FN3O3S/c1-2-23-12-14-24(15-13-23)21(26)17-25(16-18-8-10-19(22)11-9-18)29(27,28)20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3/p+1