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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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