2-[3,4-bis(fluoranyl)phenyl]-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3,4-difluorophenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(3,4-difluorophenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3,4-difluorophenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(3,4-difluorophenyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C21H18F2N2O4S MolecularWeight: 432.440426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H18F2N2O4S/c22-17-6-4-13(10-18(17)23)20-12-16(21(26)27)15-11-14(5-7-19(15)24-20)30(28,29)25-8-2-1-3-9-25/h4-7,10-12H,1-3,8-9H2,(H,26,27)