2-chloranyl-4-fluoranyl-N-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzenesulfonamide

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzenesulfonamide Openeye Name: N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-chloro-4-fluoro-benzenesulfonamide CAS Name: 2-chloro-4-fluoro-N-[[(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-chloro-4-fluorobenzenesulfonamide Traditional Name: N-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-chloro-4-fluoro-benzenesulfonamide Formula: C18H21ClFN2O3S+ MolecularWeight: 399.887343

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNS(=O)(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNS(=O)(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H20ClFN2O3S/c19-17-10-15(20)6-7-18(17)26(23,24)21-11-16-13-22(8-9-25-16)12-14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11-13H2/p+1/t16-/m0/s1