1-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(4-fluoro-3-piperidinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)F

InChI

InChI=1S/C22H23FN2O5S/c23-18-10-9-15(14-20(18)31(29,30)24-11-2-1-3-12-24)21(26)25-13-5-7-16-17(22(27)28)6-4-8-19(16)25/h4,6,8-10,14H,1-3,5,7,11-13H2,(H,27,28)