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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-fluoro-3-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-fluoro-3-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-fluoro-3-methyl-benzenesulfonamide Formula: C21H27FN3O4S+ MolecularWeight: 436.520183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CC[NH+](CC4)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)N4CC[NH+](CC4)C)F

InChI

InChI=1S/C21H26FN3O4S/c1-15-11-17(4-5-18(15)22)30(26,27)23-13-19(25-9-7-24(2)8-10-25)16-3-6-20-21(12-16)29-14-28-20/h3-6,11-12,19,23H,7-10,13-14H2,1-2H3/p+1/t19-/m1/s1