4-[(4-octylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-oxidanyl-7-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: 4-[(4-octylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-oxidanyl-7-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: 4-[(4-octylphenyl)sulfonyl-(3-pyridylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carbohydroxamic acid CAS Name: N-hydroxy-4-[(4-octylphenyl)sulfonyl-(3-pyridinylmethyl)amino]-7-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: N-hydroxy-4-[(4-octylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 4-[(4-octylphenyl)sulfonyl-(3-pyridylmethyl)amino]-7-(trifluoromethyl)quinoline-3-carbohydroxamic acid Formula: C31H33F3N4O4S MolecularWeight: 614.67833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C4C=CC(=CC4=NC=C3C(=O)NO)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C4C=CC(=CC4=NC=C3C(=O)NO)C(F)(F)F

InChI

InChI=1S/C31H33F3N4O4S/c1-2-3-4-5-6-7-9-22-11-14-25(15-12-22)43(41,42)38(21-23-10-8-17-35-19-23)29-26-16-13-24(31(32,33)34)18-28(26)36-20-27(29)30(39)37-40/h8,10-20,40H,2-7,9,21H2,1H3,(H,37,39)