N-[3,5-bis(fluoranyl)phenyl]sulfonyl-4-chloranyl-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]sulfonyl-4-chloranyl-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(3,5-difluorophenyl)sulfonyl-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(3,5-difluorophenyl)sulfonyl-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(3,5-difluorophenyl)sulfonyl-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(3,5-difluorophenyl)sulfonyl-N-methyl-3-nitro-benzenesulfonamide Formula: C13H9ClF2N2O6S2 MolecularWeight: 426.800166

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Descriptors Computed from Structure

Canonical SMILES:

CN(S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC(=CC(=C2)F)F

Isomeric SMILES

CN(S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])S(=O)(=O)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C13H9ClF2N2O6S2/c1-17(26(23,24)11-5-8(15)4-9(16)6-11)25(21,22)10-2-3-12(14)13(7-10)18(19)20/h2-7H,1H3