4-ethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-ethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzenesulfonamide Openeye Name: 4-ethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide CAS Name: 4-ethyl-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-ethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide Traditional Name: 4-ethyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N2O3S/c1-3-18-6-10-20(11-7-18)27(24,25)22-21(16-23-12-14-26-15-13-23)19-8-4-17(2)5-9-19/h4-11,21-22H,3,12-16H2,1-2H3/p+1/t21-/m1/s1