2-morpholin-4-ylsulfonyl-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

Systemtic Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline Openeye Name: 2-morpholinosulfonyl-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline CAS Name: 2-(4-morpholinylsulfonyl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline IUPAC Name: 2-morpholin-4-ylsulfonyl-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline Traditional Name: (2-morpholinosulfonyl-4-nitro-phenyl)-[3-(trifluoromethyl)benzyl]amine Formula: C18H18F3N3O5S MolecularWeight: 445.41283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O5S/c19-18(20,21)14-3-1-2-13(10-14)12-22-16-5-4-15(24(25)26)11-17(16)30(27,28)23-6-8-29-9-7-23/h1-5,10-11,22H,6-9,12H2