6-(azepan-1-ylsulfonyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-(azepan-1-ylsulfonyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-(1-azepanylsulfonyl)-2-[3-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-(azepan-1-ylsulfonyl)-2-[3-(trifluoromethyl)phenyl]cinchoninic acid Formula: C23H21F3N2O4S MolecularWeight: 478.48405

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N2O4S/c24-23(25,26)16-7-5-6-15(12-16)21-14-19(22(29)30)18-13-17(8-9-20(18)27-21)33(31,32)28-10-3-1-2-4-11-28/h5-9,12-14H,1-4,10-11H2,(H,29,30)