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

Systemtic Name: N-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-ethyl-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide Traditional Name: N-ethyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-fluoro-benzenesulfonamide Formula: C16H25FN3O3S+ MolecularWeight: 358.451403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3/p+1