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

Systemtic Name: 4-methyl-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)-4-methyl-N-(m-tolyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-morpholin-4-ium-4-yl-propyl)-4-methyl-N-(m-tolyl)benzenesulfonamide chloride Formula: C21H29ClN2O4S MolecularWeight: 440.98396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S.ClH/c1-17-6-8-21(9-7-17)28(25,26)23(19-5-3-4-18(2)14-19)16-20(24)15-22-10-12-27-13-11-22;/h3-9,14,20,24H,10-13,15-16H2,1-2H3;1H