3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-oxidanylidenepyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 3-nitro-4-(2-oxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 3-nitro-4-(2-oxo-1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 3-nitro-4-(2-oxopyrrolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-(2-ketopyrrolidino)-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C17H14F3N3O5S MolecularWeight: 429.37037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N3O5S/c18-17(19,20)11-3-1-4-12(9-11)21-29(27,28)13-6-7-14(15(10-13)23(25)26)22-8-2-5-16(22)24/h1,3-4,6-7,9-10,21H,2,5,8H2