N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide Formula: C21H27FN3O5S+ MolecularWeight: 452.519583

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNS(=O)(=O)C2=C(C=CC(=C2)F)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=C(C=CC(=C2)F)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26FN3O5S/c1-24-7-9-25(10-8-24)17(15-3-5-18-20(11-15)30-14-29-18)13-23-31(26,27)21-12-16(22)4-6-19(21)28-2/h3-6,11-12,17,23H,7-10,13-14H2,1-2H3/p+1/t17-/m1/s1