N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2,5-dimethoxy-benzenesulfonamide Formula: C21H29FN3O4S+ MolecularWeight: 438.536063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FN3O4S/c1-24-10-12-25(13-11-24)19(16-4-6-17(22)7-5-16)15-23-30(26,27)21-14-18(28-2)8-9-20(21)29-3/h4-9,14,19,23H,10-13,15H2,1-3H3/p+1/t19-/m1/s1