N-(4-fluorophenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(4-fluorophenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(4-fluorophenyl)-3,4-dimethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(4-fluorophenyl)-3,4-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(4-fluorophenyl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H27FN3O5S+ MolecularWeight: 452.519583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O5S/c1-23-10-12-24(13-11-23)21(26)15-25(17-6-4-16(22)5-7-17)31(27,28)18-8-9-19(29-2)20(14-18)30-3/h4-9,14H,10-13,15H2,1-3H3/p+1