N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-fluoro-benzenesulfonamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-fluorobenzenesulfonamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-fluoro-benzenesulfonamide Formula: C21H30FN4O2S+ MolecularWeight: 421.551903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H29FN4O2S/c1-24(2)18-10-8-17(9-11-18)20(26-14-12-25(3)13-15-26)16-23-29(27,28)21-7-5-4-6-19(21)22/h4-11,20,23H,12-16H2,1-3H3/p+1/t20-/m1/s1