N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-benzenesulfonamide Formula: C20H27FN3O3S+ MolecularWeight: 408.510083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H26FN3O3S/c1-23-11-13-24(14-12-23)20(16-3-5-17(21)6-4-16)15-22-28(25,26)19-9-7-18(27-2)8-10-19/h3-10,20,22H,11-15H2,1-2H3/p+1/t20-/m1/s1