methyl 2,2,2-tris(fluoranyl)ethanoate; 2-(1-quinolin-8-ylsulfonylindol-4-yl)oxyethanamine

Systemtic Name: methyl 2,2,2-tris(fluoranyl)ethanoate; 2-(1-quinolin-8-ylsulfonylindol-4-yl)oxyethanamine Openeye Name: methyl 2,2,2-trifluoroacetate; 2-[1-(8-quinolylsulfonyl)indol-4-yl]oxyethanamine CAS Name: 2-[[1-(8-quinolinylsulfonyl)-4-indolyl]oxy]ethanamine; 2,2,2-trifluoroacetic acid methyl ester IUPAC Name: methyl 2,2,2-trifluoroacetate; 2-(1-quinolin-8-ylsulfonylindol-4-yl)oxyethanamine Traditional Name: 2-[1-(8-quinolylsulfonyl)indol-4-yl]oxyethylamine; 2,2,2-trifluoroacetic acid methyl ester Formula: C22H20F3N3O5S MolecularWeight: 495.47151

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(F)(F)F.C1=CC2=C(C(=C1)S(=O)(=O)N3C=CC4=C3C=CC=C4OCCN)N=CC=C2

Isomeric SMILES

COC(=O)C(F)(F)F.C1=CC2=C(C(=C1)S(=O)(=O)N3C=CC4=C3C=CC=C4OCCN)N=CC=C2

InChI

InChI=1S/C19H17N3O3S.C3H3F3O2/c20-10-13-25-17-7-2-6-16-15(17)9-12-22(16)26(23,24)18-8-1-4-14-5-3-11-21-19(14)18;1-8-2(7)3(4,5)6/h1-9,11-12H,10,13,20H2;1H3