3-fluoranyl-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 3-fluoranyl-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 3-fluoro-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 3-fluoro-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 3-fluoro-4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 3-fluoro-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-methyl-5-nitro-benzamide Formula: C16H12FN3O5S2 MolecularWeight: 409.411983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H12FN3O5S2/c1-8-11(17)5-9(6-13(8)20(22)23)15(21)19-16-18-12-4-3-10(27(2,24)25)7-14(12)26-16/h3-7H,1-2H3,(H,18,19,21)