[2-[octylsulfonylmethyl(pyridin-3-yl)amino]-7-(trifluoromethyl)quinolin-3-yl] N-oxidanylcarbamate

Systemtic Name: [2-[octylsulfonylmethyl(pyridin-3-yl)amino]-7-(trifluoromethyl)quinolin-3-yl] N-oxidanylcarbamate Openeye Name: [2-[octylsulfonylmethyl(3-pyridyl)amino]-7-(trifluoromethyl)-3-quinolyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [2-[octylsulfonylmethyl(3-pyridinyl)amino]-7-(trifluoromethyl)-3-quinolinyl] ester IUPAC Name: [2-[octylsulfonylmethyl(pyridin-3-yl)amino]-7-(trifluoromethyl)quinolin-3-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [2-[octylsulfonylmethyl(3-pyridyl)amino]-7-(trifluoromethyl)-3-quinolyl] ester Formula: C25H29F3N4O5S MolecularWeight: 554.58177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)CN(C1=CN=CC=C1)C2=C(C=C3C=CC(=CC3=N2)C(F)(F)F)OC(=O)NO

Isomeric SMILES

CCCCCCCCS(=O)(=O)CN(C1=CN=CC=C1)C2=C(C=C3C=CC(=CC3=N2)C(F)(F)F)OC(=O)NO

InChI

InChI=1S/C25H29F3N4O5S/c1-2-3-4-5-6-7-13-38(35,36)17-32(20-9-8-12-29-16-20)23-22(37-24(33)31-34)14-18-10-11-19(25(26,27)28)15-21(18)30-23/h8-12,14-16,34H,2-7,13,17H2,1H3,(H,31,33)