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

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-propyl-benzenesulfonamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-propyl-benzenesulfonamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-propylbenzenesulfonamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-propylbenzenesulfonamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-propyl-benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3S/c1-2-6-18-9-11-20(12-10-18)27(24,25)22-21(19-7-4-3-5-8-19)17-23-13-15-26-16-14-23/h3-5,7-12,21-22H,2,6,13-17H2,1H3/p+1/t21-/m1/s1