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

Systemtic Name: 4-methyl-N-[3-[[4-nitro-2-(trifluoromethyl)phenyl]amino]propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-[4-nitro-2-(trifluoromethyl)anilino]propyl]benzenesulfonamide Formula: C17H18F3N3O4S MolecularWeight: 417.40273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H18F3N3O4S/c1-12-3-6-14(7-4-12)28(26,27)22-10-2-9-21-16-8-5-13(23(24)25)11-15(16)17(18,19)20/h3-8,11,21-22H,2,9-10H2,1H3