3-chloranyl-4-fluoranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 3-chloro-4-fluoro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 3-chloro-4-fluoro-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 3-chloro-4-fluoro-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C18H21ClFN2O3S+ MolecularWeight: 399.887343

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

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