N-(4-ethoxyphenyl)-4-fluoranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CC[NH+](CC2)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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