N-(4-fluorophenyl)-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzenesulfonamide CAS Name: N-(4-fluorophenyl)-3-methyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-3-methyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-3-methyl-benzenesulfonamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)OCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)F)OCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24FN3O4S/c1-15-13-18(29(26,27)22-17-5-3-16(21)4-6-17)7-8-19(15)28-14-20(25)24-11-9-23(2)10-12-24/h3-8,13,22H,9-12,14H2,1-2H3/p+1