4-bromanyl-N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]benzenesulfonamide Formula: C15H23BrN3O3S+ MolecularWeight: 405.33042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H22BrN3O3S/c1-2-18-9-11-19(12-10-18)15(20)7-8-17-23(21,22)14-5-3-13(16)4-6-14/h3-6,17H,2,7-12H2,1H3/p+1