4-[2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]ethyl]benzenesulfonamide Traditional Name: 4-[2-(2-nitro-4-triflyl-anilino)ethyl]benzenesulfonamide Formula: C15H14F3N3O6S2 MolecularWeight: 453.41337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C15H14F3N3O6S2/c16-15(17,18)28(24,25)12-5-6-13(14(9-12)21(22)23)20-8-7-10-1-3-11(4-2-10)29(19,26)27/h1-6,9,20H,7-8H2,(H2,19,26,27)