(4-methylsulfonyl-3-nitro-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

Systemtic Name: (4-methylsulfonyl-3-nitro-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone Openeye Name: (4-methylsulfonyl-3-nitro-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone CAS Name: (4-methylsulfonyl-3-nitrophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone IUPAC Name: (4-methylsulfonyl-3-nitrophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone Traditional Name: (4-mesyl-3-nitro-phenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone Formula: C18H15F3N2O5S MolecularWeight: 428.38231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCCC3=C2C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5S/c1-29(27,28)16-7-4-12(10-15(16)23(25)26)17(24)22-8-2-3-11-9-13(18(19,20)21)5-6-14(11)22/h4-7,9-10H,2-3,8H2,1H3