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

Systemtic Name: 4-bromanyl-N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-bromo-N-(4-ethoxyphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-(4-ethoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-p-phenetyl-benzenesulfonamide Formula: C22H29BrN3O4S+ MolecularWeight: 511.45236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O4S/c1-3-24-13-15-25(16-14-24)22(27)17-26(19-7-9-20(10-8-19)30-4-2)31(28,29)21-11-5-18(23)6-12-21/h5-12H,3-4,13-17H2,1-2H3/p+1