4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)19-9-11-20(12-10-19)28(25,26)23-21(18-7-5-4-6-8-18)17-24-13-15-27-16-14-24/h4-12,21,23H,13-17H2,1-3H3/p+1/t21-/m1/s1