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

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H22BrFN2O4S MolecularWeight: 497.377783

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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=C(C=C4)F)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)COC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C21H22BrFN2O4S/c22-18-13-16(23)5-8-20(18)29-14-21(26)25-11-3-4-15-12-17(6-7-19(15)25)30(27,28)24-9-1-2-10-24/h5-8,12-13H,1-4,9-11,14H2