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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C20H24FN2O5S+ MolecularWeight: 423.478363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)F

InChI

InChI=1S/C20H23FN2O5S/c1-14-10-16(3-4-17(14)21)29(24,25)22-12-18(23-6-8-26-9-7-23)15-2-5-19-20(11-15)28-13-27-19/h2-5,10-11,18,22H,6-9,12-13H2,1H3/p+1/t18-/m1/s1