N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(3-bromophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzenesulfonamide Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O3S/c1-2-22-11-13-23(14-12-22)20(25)16-24(18-8-6-7-17(21)15-18)28(26,27)19-9-4-3-5-10-19/h3-10,15H,2,11-14,16H2,1H3/p+1