4-[2,5-bis(fluoranyl)phenyl]sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(2,5-difluorophenyl)sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(2,5-difluorophenyl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2,5-difluorophenyl)sulfanyl-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(2,5-difluorophenyl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H16F2N2O4S2 MolecularWeight: 402.436046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=C(C=CC(=C2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F2N2O4S2/c1-3-19(4-2)26(23,24)12-6-8-15(14(10-12)20(21)22)25-16-9-11(17)5-7-13(16)18/h5-10H,3-4H2,1-2H3