4-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide chloride

Systemtic Name: 4-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide chloride Openeye Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide chloride CAS Name: 4-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide chloride IUPAC Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide chloride Traditional Name: 4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide chloride Formula: C13H17Cl2F3N2O3S MolecularWeight: 409.25189

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F.[Cl-]

InChI

InChI=1S/C13H16ClF3N2O3S.ClH/c14-12-2-1-10(9-11(12)13(15,16)17)23(20,21)18-3-4-19-5-7-22-8-6-19;/h1-2,9,18H,3-8H2;1H