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

Systemtic Name: 3-bromanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 3-bromo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 3-bromo-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 3-bromo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H21BrN2O3S/c19-16-7-4-8-17(13-16)25(22,23)20-18(15-5-2-1-3-6-15)14-21-9-11-24-12-10-21/h1-8,13,18,20H,9-12,14H2/p+1/t18-/m1/s1