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

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C22H25FN2O4S MolecularWeight: 432.508303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4)F

InChI

InChI=1S/C22H25FN2O4S/c1-29-21-9-6-16(13-19(21)23)14-22(26)25-12-4-5-17-15-18(7-8-20(17)25)30(27,28)24-10-2-3-11-24/h6-9,13,15H,2-5,10-12,14H2,1H3