4-methylsulfonyl-2-nitro-N-[2,2,2-tris(fluoranyl)ethyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[2,2,2-tris(fluoranyl)ethyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline CAS Name: 4-methylsulfonyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(2,2,2-trifluoroethyl)amine Formula: C9H9F3N2O4S MolecularWeight: 298.23897

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H9F3N2O4S/c1-19(17,18)6-2-3-7(8(4-6)14(15)16)13-5-9(10,11)12/h2-4,13H,5H2,1H3