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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-fluoranyl-N-(4-methoxyphenyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4S/c1-3-23-12-14-24(15-13-23)21(26)16-25(18-6-8-19(29-2)9-7-18)30(27,28)20-10-4-17(22)5-11-20/h4-11H,3,12-16H2,1-2H3/p+1