N-(4-methoxyphenyl)-4-methyl-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)benzenesulfonamide chloride

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-N-(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl)benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide chloride Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCOCC2)O)C3=CC=C(C=C3)OC.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCOCC2)O)C3=CC=C(C=C3)OC.[Cl-]

InChI

InChI=1S/C21H28N2O5S.ClH/c1-17-3-9-21(10-4-17)29(25,26)23(18-5-7-20(27-2)8-6-18)16-19(24)15-22-11-13-28-14-12-22;/h3-10,19,24H,11-16H2,1-2H3;1H