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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-4-fluoro-benzenesulfonamide Formula: C18H24FN2O2S2+ MolecularWeight: 383.523763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CSC=C3

InChI

InChI=1S/C18H23FN2O2S2/c19-16-5-7-17(8-6-16)25(22,23)20-13-18(15-9-12-24-14-15)21-10-3-1-2-4-11-21/h5-9,12,14,18,20H,1-4,10-11,13H2/p+1/t18-/m1/s1