N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-4-fluoro-benzenesulfonamide Formula: C19H26FN4O2S+ MolecularWeight: 393.498743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CN=CC=C3

InChI

InChI=1S/C19H25FN4O2S/c1-2-23-10-12-24(13-11-23)19(16-4-3-9-21-14-16)15-22-27(25,26)18-7-5-17(20)6-8-18/h3-9,14,19,22H,2,10-13,15H2,1H3/p+1/t19-/m1/s1