N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoro-benzenesulfonamide Formula: C19H22FN2O5S+ MolecularWeight: 409.451783

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNS(=O)(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21FN2O5S/c20-15-2-4-16(5-3-15)28(23,24)21-12-17(22-7-9-25-10-8-22)14-1-6-18-19(11-14)27-13-26-18/h1-6,11,17,21H,7-10,12-13H2/p+1/t17-/m1/s1