4-[octylsulfonyl(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N(CC1=CN=CC=C1)C2=C3C=CC(=CC3=NC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)N(CC1=CN=CC=C1)C2=C3C=CC(=CC3=NC=C2C(=O)O)C(F)(F)F

InChI

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