N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoranyl-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoranyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-4-fluoro-N-methyl-3-nitro-benzenesulfonamide Formula: C16H14FN3O4S2 MolecularWeight: 395.428463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FN3O4S2/c1-10(16-18-13-5-3-4-6-15(13)25-16)19(2)26(23,24)11-7-8-12(17)14(9-11)20(21)22/h3-10H,1-2H3/t10-/m1/s1