3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]methyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]methyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: 3-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-N-isopropyl-benzenesulfonamide CAS Name: 3-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 3-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-N-isopropyl-benzenesulfonamide Formula: C17H17F3N4O6S MolecularWeight: 462.40029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O6S/c1-10(2)22-31(29,30)13-5-3-4-11(6-13)9-21-16-14(23(25)26)7-12(17(18,19)20)8-15(16)24(27)28/h3-8,10,21-22H,9H2,1-2H3