2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(2-chloro-4-fluorophenoxy)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C20H24ClFN3O4S+ MolecularWeight: 456.938663

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3O4S/c1-2-24-9-11-25(12-10-24)30(27,28)17-6-4-16(5-7-17)23-20(26)14-29-19-8-3-15(22)13-18(19)21/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)/p+1