N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-4-fluoro-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-4-fluoro-benzenesulfonamide Formula: C21H24FN4O3S2+ MolecularWeight: 463.568663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O3S2/c22-16-5-7-17(8-6-16)31(28,29)23-10-9-21(27)26-13-11-25(12-14-26)15-20-24-18-3-1-2-4-19(18)30-20/h1-8,23H,9-15H2/p+1