2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[3-(phenylsulfonyl)propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[3-(benzenesulfonyl)propanoyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[3-(benzenesulfonyl)propanoyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[3-besylpropanoyl-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23FN3O3S2+ MolecularWeight: 436.543323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22FN3O3S2/c1-23(2)12-13-24(20-22-19-16(21)9-6-10-17(19)28-20)18(25)11-14-29(26,27)15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3/p+1