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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(3-chloro-4-fluorophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzenesulfonamide Formula: C20H24ClFN3O3S+ MolecularWeight: 440.939263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFN3O3S/c1-2-23-10-12-24(13-11-23)20(26)15-25(16-8-9-19(22)18(21)14-16)29(27,28)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3/p+1