5-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-benzenesulfonamide CAS Name: 5-bromo-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxybenzenesulfonamide Traditional Name: 5-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-benzenesulfonamide Formula: C19H25BrN3O3S+ MolecularWeight: 455.3891

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H24BrN3O3S/c1-3-22-10-12-23(13-11-22)17-7-5-4-6-16(17)21-27(24,25)19-14-15(20)8-9-18(19)26-2/h4-9,14,21H,3,10-13H2,1-2H3/p+1