2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline

Systemtic Name: 2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline Openeye Name: 2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline CAS Name: 2-[5-[2-(sulfothio)ethylamino]pentoxy]-4-(trifluoromethyl)quinoline IUPAC Name: 2-[5-(2-sulfosulfanylethylamino)pentoxy]-4-(trifluoromethyl)quinoline Traditional Name: 2-[5-[2-(sulfothio)ethylamino]pentoxy]-4-(trifluoromethyl)quinoline Formula: C17H21F3N2O4S2 MolecularWeight: 438.48485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)OCCCCCNCCSS(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)OCCCCCNCCSS(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C17H21F3N2O4S2/c18-17(19,20)14-12-16(22-15-7-3-2-6-13(14)15)26-10-5-1-4-8-21-9-11-27-28(23,24)25/h2-3,6-7,12,21H,1,4-5,8-11H2,(H,23,24,25)