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

Systemtic Name: 4-bromanyl-2-chloranyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-2-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide CAS Name: 4-bromo-2-chloro-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzenesulfonamide IUPAC Name: 4-bromo-2-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide Traditional Name: 4-bromo-2-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzenesulfonamide Formula: C18H21BrClN2O3S+ MolecularWeight: 460.79294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN2O3S/c19-15-6-7-18(16(20)12-15)26(23,24)21-17(14-4-2-1-3-5-14)13-22-8-10-25-11-9-22/h1-7,12,17,21H,8-11,13H2/p+1/t17-/m1/s1