2-(5-fluoranyl-2-nitro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(5-fluoranyl-2-nitro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(5-fluoro-2-nitro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(5-fluoro-2-nitrophenoxy)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(5-fluoro-2-nitrophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(5-fluoro-2-nitro-phenoxy)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O6S/c22-16-5-7-19(25(27)28)20(13-16)31-14-21(26)24-11-3-4-15-12-17(6-8-18(15)24)32(29,30)23-9-1-2-10-23/h5-8,12-13H,1-4,9-11,14H2