N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C19H24FN4O4S+ MolecularWeight: 423.481663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN4O4S/c1-22-10-12-23(13-11-22)19(15-2-4-16(20)5-3-15)14-21-29(27,28)18-8-6-17(7-9-18)24(25)26/h2-9,19,21H,10-14H2,1H3/p+1/t19-/m0/s1