4-fluoranyl-N-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiazol-2-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-thiazolyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thiazol-2-yl]benzenesulfonamide Formula: C20H21FN5O3S2+ MolecularWeight: 462.540843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CSC(=N3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CSC(=N3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5O3S2/c21-15-4-6-17(7-5-15)31(28,29)24-20-23-16(14-30-20)13-19(27)26-11-9-25(10-12-26)18-3-1-2-8-22-18/h1-8,14H,9-13H2,(H,23,24)/p+1