4-fluoranyl-N-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[6-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C20H22FN4O4S2+ MolecularWeight: 465.541483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O4S2/c21-15-2-4-16(5-3-15)31(28,29)23-20-22-17-6-1-14(13-18(17)30-20)19(27)25-9-7-24(8-10-25)11-12-26/h1-6,13,26H,7-12H2,(H,22,23)/p+1