N-[2-(4-fluoranyl-2-nitro-phenyl)ethyl]-N-methyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide

Systemtic Name: N-[2-(4-fluoranyl-2-nitro-phenyl)ethyl]-N-methyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide Openeye Name: N-[2-(4-fluoro-2-nitro-phenyl)ethyl]-N-methyl-7-oxo-5,6-dihydro-4H-benzothiophene-3-sulfonamide CAS Name: N-[2-(4-fluoro-2-nitrophenyl)ethyl]-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide IUPAC Name: N-[2-(4-fluoro-2-nitrophenyl)ethyl]-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide Traditional Name: N-[2-(4-fluoro-2-nitro-phenyl)ethyl]-7-keto-N-methyl-5,6-dihydro-4H-benzothiophene-3-sulfonamide Formula: C17H17FN2O5S2 MolecularWeight: 412.455683

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=C(C=C(C=C1)F)[N+](=O)[O-])S(=O)(=O)C2=CSC3=C2CCCC3=O

Isomeric SMILES

CN(CCC1=C(C=C(C=C1)F)[N+](=O)[O-])S(=O)(=O)C2=CSC3=C2CCCC3=O

InChI

InChI=1S/C17H17FN2O5S2/c1-19(8-7-11-5-6-12(18)9-14(11)20(22)23)27(24,25)16-10-26-17-13(16)3-2-4-15(17)21/h5-6,9-10H,2-4,7-8H2,1H3