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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-methyl-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzenesulfonamide Openeye Name: N-(3,4-difluorophenyl)-4-methyl-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzenesulfonamide CAS Name: N-(3,4-difluorophenyl)-4-methyl-N-(4-methyl-3-nitrophenyl)sulfonyl-3-nitrobenzenesulfonamide IUPAC Name: N-(3,4-difluorophenyl)-4-methyl-N-(4-methyl-3-nitrophenyl)sulfonyl-3-nitrobenzenesulfonamide Traditional Name: N-(3,4-difluorophenyl)-4-methyl-N-(4-methyl-3-nitro-phenyl)sulfonyl-3-nitro-benzenesulfonamide Formula: C20H15F2N3O8S2 MolecularWeight: 527.475206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15F2N3O8S2/c1-12-3-6-15(10-19(12)23(26)27)34(30,31)25(14-5-8-17(21)18(22)9-14)35(32,33)16-7-4-13(2)20(11-16)24(28)29/h3-11H,1-2H3