N-(4-methylphenyl)-N-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-N-(p-tolyl)benzenesulfonamide Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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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

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@@H](C[NH+]2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/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/p+1/t19-/m1/s1