N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]benzenesulfonamide

Systemtic Name: N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]benzenesulfonamide Openeye Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzenesulfonamide CAS Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzenesulfonamide IUPAC Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzenesulfonamide Traditional Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]benzenesulfonamide Formula: C16H16F3N3O4S MolecularWeight: 403.37615

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N3O4S/c17-16(18,19)12-7-8-14(15(11-12)22(23)24)20-9-4-10-21-27(25,26)13-5-2-1-3-6-13/h1-3,5-8,11,20-21H,4,9-10H2