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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(4-iodophenyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(4-iodophenyl)benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(4-iodophenyl)benzenesulfonamide Formula: C20H25IN3O3S+ MolecularWeight: 514.40027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24IN3O3S/c1-2-22-12-14-23(15-13-22)20(25)16-24(18-10-8-17(21)9-11-18)28(26,27)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3/p+1