N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-4-fluoranyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-4-fluoranyl-2-methyl-benzenesulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-fluoro-2-methyl-benzenesulfonamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-fluoro-2-methyl-benzenesulfonamide Formula: C20H25FN3O3S+ MolecularWeight: 406.494203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O3S/c1-3-23-10-12-24(13-11-23)20(25)16-4-7-18(8-5-16)22-28(26,27)19-9-6-17(21)14-15(19)2/h4-9,14,22H,3,10-13H2,1-2H3/p+1