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

Systemtic Name: N-(4-methylphenyl)-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-(p-tolyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(4-methylphenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-N-(p-tolyl)benzenesulfonamide chloride Formula: C20H27ClN2O4S MolecularWeight: 426.95738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S.ClH/c1-17-7-9-18(10-8-17)22(27(24,25)20-5-3-2-4-6-20)16-19(23)15-21-11-13-26-14-12-21;/h2-10,19,23H,11-16H2,1H3;1H