2-azanyl-5-octylsulfonyl-4-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-5-octylsulfonyl-4-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-amino-5-octylsulfonyl-4-(3-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 2-amino-5-octylsulfonyl-4-(3-pyridinylmethyl)-7-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-octylsulfonyl-4-(pyridin-3-ylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-amino-5-octylsulfonyl-4-(3-pyridylmethyl)-7-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C25H28F3N3O4S MolecularWeight: 523.56773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=CC(=CC2=NC(=C(C(=C12)CC3=CN=CC=C3)C(=O)O)N)C(F)(F)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=CC(=CC2=NC(=C(C(=C12)CC3=CN=CC=C3)C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C25H28F3N3O4S/c1-2-3-4-5-6-7-11-36(34,35)20-14-17(25(26,27)28)13-19-21(20)18(12-16-9-8-10-30-15-16)22(24(32)33)23(29)31-19/h8-10,13-15H,2-7,11-12H2,1H3,(H2,29,31)(H,32,33)