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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-6-morpholin-4-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3,4-difluorophenyl)-6-morpholinosulfonyl-quinoline-4-carboxylic acid CAS Name: 2-(3,4-difluorophenyl)-6-(4-morpholinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3,4-difluorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(3,4-difluorophenyl)-6-morpholinosulfonyl-cinchoninic acid Formula: C20H16F2N2O5S MolecularWeight: 434.413246

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H16F2N2O5S/c21-16-3-1-12(9-17(16)22)19-11-15(20(25)26)14-10-13(2-4-18(14)23-19)30(27,28)24-5-7-29-8-6-24/h1-4,9-11H,5-8H2,(H,25,26)