2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-azanylpyridine-3-carboxylate

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-azanylpyridine-3-carboxylate Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-aminopyridine-3-carboxylate CAS Name: 2-amino-3-pyridinecarboxylic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-aminopyridine-3-carboxylate Traditional Name: 2-aminonicotinic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester Formula: C16H12F6N2O4S MolecularWeight: 442.332899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N)C(=O)OCCS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)N)C(=O)OCCS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H12F6N2O4S/c17-15(18,19)9-6-10(16(20,21)22)8-11(7-9)29(26,27)5-4-28-14(25)12-2-1-3-24-13(12)23/h1-3,6-8H,4-5H2,(H2,23,24)