ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-(2-pyridylmethyl)amino]acetate CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl-(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C18H16F6N2O4S MolecularWeight: 470.386059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=N1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=N1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H16F6N2O4S/c1-2-30-16(27)11-26(10-14-5-3-4-6-25-14)31(28,29)15-8-12(17(19,20)21)7-13(9-15)18(22,23)24/h3-9H,2,10-11H2,1H3